Chemsrc provides Signaling Pathways's classification. They are divided into Anti-infection, Antibody-drug Conjugate, Apoptosis, Autophagy, Cell Cycle/DNA Damage, Cytoskeleton, Epigenetics, GPCR/G Protein, Immunology/Inflammation, JAK/STAT Signaling, MAPK/ERK Pathway, Membrane Transporter/Ion Channel, Metabolic Enzyme/Protease, Neuronal Signaling, NF-κB, PI3K/Akt/mTOR, PROTAC, Protein Tyrosine Kinase/RTK, Stem Cell/Wnt, TGF-beta/Smad, Vitamin D Related, Others according to their Biological activity.


Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
Apoptosis Bcl-2 Family c-Myc Caspase DAPK Ferroptosis IAP MDM-2/p53 PKD RIP kinase Survivin Thymidylate Synthase TNF Receptor
Autophagy >
Autophagy LRRK2 ULK Mitophagy
Cell Cycle/DNA Damage >
Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
Cytoskeleton >
Arp2/3 Complex Dynamin Gap Junction Protein Integrin Kinesin Microtubule/Tubulin Mps1 Myosin PAK
Epigenetics >
AMPK Aurora Kinase DNA Methyltransferase Epigenetic Reader Domain HDAC Histone Acetyltransferase Histone Demethylase Histone Methyltransferase JAK MicroRNA PARP PKC Sirtuin Protein Arginine Deiminase
GPCR/G Protein >
5-HT Receptor Adenosine Receptor Adenylate Cyclase Adiponectin Receptor Adrenergic Receptor Angiotensin Receptor Bombesin Receptor Bradykinin Receptor Cannabinoid Receptor CaSR CCR CGRP Receptor Cholecystokinin Receptor CRFR CXCR Dopamine Receptor EBI2/GPR183 Endothelin Receptor GHSR Glucagon Receptor Glucocorticoid Receptor GNRH Receptor GPCR19 GPR109A GPR119 GPR120 GPR139 GPR40 GPR55 GPR84 Guanylate Cyclase Histamine Receptor Imidazoline Receptor Leukotriene Receptor LPL Receptor mAChR MCHR1 (GPR24) Melatonin Receptor mGluR Motilin Receptor Neurokinin Receptor Neuropeptide Y Receptor Neurotensin Receptor Opioid Receptor Orexin Receptor (OX Receptor) Oxytocin Receptor P2Y Receptor Prostaglandin Receptor Protease-Activated Receptor (PAR) Ras RGS Protein Sigma Receptor Somatostatin Receptor TSH Receptor Urotensin Receptor Vasopressin Receptor Melanocortin Receptor
Immunology/Inflammation >
Aryl Hydrocarbon Receptor CCR Complement System COX CXCR FLAP Histamine Receptor IFNAR Interleukin Related IRAK MyD88 NO Synthase NOD-like Receptor (NLR) PD-1/PD-L1 PGE synthase Salt-inducible Kinase (SIK) SPHK STING Thrombopoietin Receptor Toll-like Receptor (TLR) Arginase
JAK/STAT Signaling >
EGFR JAK Pim STAT
MAPK/ERK Pathway >
ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
Membrane Transporter/Ion Channel >
ATP Synthase BCRP Calcium Channel CFTR Chloride Channel CRAC Channel CRM1 EAAT2 GABA Receptor GlyT HCN Channel iGluR Monoamine Transporter Monocarboxylate Transporter Na+/Ca2+ Exchanger Na+/HCO3- Cotransporter Na+/K+ ATPase nAChR NKCC P-glycoprotein P2X Receptor Potassium Channel Proton Pump SGLT Sodium Channel TRP Channel URAT1
Metabolic Enzyme/Protease >
15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
PROTAC E3 Ligase Ligand-Linker Conjugate Ligand for E3 Ligase PROTAC Linker PROTAC-linker Conjugate for PAC
Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
Stem Cell/Wnt >
Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
TGF-beta/Smad >
TGF-beta/Smad PKC ROCK TGF-β Receptor
Vitamin D Related >
VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

ONO-8711

ONO-8711 is a potent and selective competitive antagonist of EP1 receptor (Ki = 0.6 and 1.7 nM for human and mouse EP1 respectively). ONO-8711 effectively reduces tumor incidence and multiplicity in mouse models of colon, breast, and oral cancer[1].

  • CAS Number: 216158-34-8
  • MF: C22H30ClNO4S
  • MW: 439.996
  • Catalog: Prostaglandin Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 605.2±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 319.8±34.3 °C

E3 Ligand-Linker Conjugate 4

E3 ligase Ligand 9 is a Ligand of BETd-260 for E3 Ligase used in PROTAC. BETd-260 is a potent BET degrader based on PROTAC technology, with an IC50 of 51 pM against BRD4 protein in RS4;11 leukemia cell line[1].

  • CAS Number: 2093388-45-3
  • MF: C18H23N3O3
  • MW: 329.39
  • Catalog: PROTAC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SIRT5 inhibitor 4

SIRT5 inhibitor 4 (compound 11) is a potent, selective SIRT5 inhibitor with IC50 values of 26.4 and >400μM for SIRT5 and other SIRT subtype, respectively[1].

  • CAS Number: 708992-34-1
  • MF: C18H15N3O4S
  • MW: 369.39
  • Catalog: Sirtuin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Linoleamide

Octadeca-9,12-dienamide is an endogenous lipid[1].

  • CAS Number: 3072-13-7
  • MF: C18H33NO
  • MW: 279.46100
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 51°C (lit.)
  • Flash Point: N/A

Cocoa Butter

Cocoa butter can be used as an excipient, such as lubricants, suppository bases. Pharmaceutical excipients, or pharmaceutical auxiliaries, refer to other chemical substances used in the pharmaceutical process other than pharmaceutical ingredients. Pharmaceutical excipients generally refer to inactive ingredients in pharmaceutical preparations, which can improve the stability, solubility and processability of pharmaceutical preparations. Pharmaceutical excipients also affect the absorption, distribution, metabolism, and elimination (ADME) processes of co-administered drugs[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Protodioscin

Protodioscin, a major steroidal saponin in dioscoreae rhizome, has been shown to exhibit multiple biological actions, such as anti-hyperlipidemia, anti-cancer, sexual effects and cardiovascular properties.

  • CAS Number: 55056-80-9
  • MF: C51H84O22
  • MW: 1049.199
  • Catalog: Cancer
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MMSET-IN-1

MMSET-IN-1 is a multiple myeloma SET domain (MMSET, aka NSD2/WHSC1) inhibitor against SETD2 and MMSET with IC50s of 0.49 and 3.3 μM, respectively. MMSET-IN-1 has a Kd of 1.6 μM for MMSET[1].

  • CAS Number: 1998139-29-9
  • MF: C18H29N7O5
  • MW: 423.47
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Palmitic acid-d2-1

Palmitic acid-d2-1 is the deuterium labeled Palmitic acid. Palmitic acid is a long-chain saturated fatty acid commonly found in both animals and plants. Palmitic acid can induce the expression of glucose-regulated protein 78 (GRP78) and CCAAT/enhancer binding protein homologous protein (CHOP) in in mouse granulosa cells[1][2].

  • CAS Number: 62690-28-2
  • MF: C16H30D2O2
  • MW: 258.43600
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sperm motility agonist-1

Sperm motility agonist-1 (compound 745) is a Sperm motility agonist. Sperm motility agonist-1 can be used in studies of infertility and enhancement of fertility[1].

  • CAS Number: 1796991-30-4
  • MF: C16H11N5OS
  • MW: 321.36
  • Catalog: Endocrinology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HDAC-IN-38

HDAC-IN-38 (compound 13) is a potent HDAC inhibitor. HDAC-IN-38 shows similar micro-molar inhibitory activity toward HDAC1, 2, 3, 5, 6, and 8. HDAC-IN-38 increases cerebral blood flow (CBF), attenuates cognitive impairment, and improves hippocampal atrophy. HDAC-IN-38 also increases the level of histone acetylation (H3K14 or H4K5)[1].

  • CAS Number: 2408123-36-2
  • MF: C27H28ClN3O2
  • MW: 461.98
  • Catalog: HDAC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NITD-609

Cipargamin (NITD609) is an potent antimalarial compound, with IC50 of appr 1 nM against P. falciparum.

  • CAS Number: 1193314-23-6
  • MF: C19H14Cl2FN3O
  • MW: 390.238
  • Catalog: Parasite
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 621.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 329.6±31.5 °C

Ponatinib hydrochloride

Ponatinib (AP24534) hydrochloride is a hydrochloride of ponatinib. Ponatinib is an orally active multi-targeted kinase inhibitor with IC50s of 0.37 nM, 1.1 nM, 1.5 nM, 2.2 nM, and 5.4 nM for Abl, PDGFRα, VEGFR2, FGFR1, and Src, respectively[1].

  • CAS Number: 1114544-31-8
  • MF: C29H28ClF3N6O
  • MW: 569.02
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ibuprofen Lysine

Ibuprofen ((±)-Ibuprofen) L-lysine is a potent orally active, selective COX-1 inhibitor with an IC50 value of 13 μM. Ibuprofen L-lysine inhibits cell proliferation, angiogenesis, and induces cell apoptosis. Ibuprofen L-lysine is a nonsteroidal anti-inflammatory agent and a nitric oxide (NO) donor. Ibuprofen L-lysine can be used in the research of pain, swelling, inflammation, infection, immunology, cancers[1][2][3][4][5][6][7][8].

  • CAS Number: 57469-77-9
  • MF: C19H30N2O3
  • MW: 352.468
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: 319.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: N/A

Ramelteon metabolite M-II

Ramelteon metabolite M-II is the major metabolite of Ramelteon, with IC50s of 208 pM, 1470 pM for human melatonin receptors (MT1 or MT2). Ramelteon is a selective melatonin agonist.

  • CAS Number: 896736-21-3
  • MF: C16H21NO3
  • MW: 275.34300
  • Catalog: Melatonin Receptor
  • Density: 1.199g/cm3
  • Boiling Point: 495.171ºC at 760 mmHg
  • Melting Point: 96-98ºC
  • Flash Point: 253.271ºC

BET-IN-9

BET-IN-9 is a BET inhibitor extracted from patent WO2022012456A1, compound example 1[1].

  • CAS Number: 2758778-88-8
  • MF: C22H24N4O3
  • MW: 392.45
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

L-Norvaline, N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-, 1,1-dimethylethyl ester

L-Norvaline, N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydro-2-naphthalenyl]-, 1,1-dimethylethyl ester is a valine derivative[1].

  • CAS Number: 1309869-67-7
  • MF: C19H27F2NO2
  • MW: 339.42
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Z164597606

Z164597606 is a selective BChE inhibitor (IC50: 1.3 and 1.7 μM for eqBChE and hBChE). Z164597606 forms a π-π stacking interaction with the amino acid Trp82 of hBChE. Z164597606 can be used for the research of Alzheimer’s disease (AD)[1][2].

  • CAS Number: 1050587-57-9
  • MF: C20H19N3O4
  • MW: 365.38
  • Catalog: AChE
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SG2057

SG2057 (DRG16) is a PBD dimer containing a pentyldioxy linkage which binds sequence selectively in the minor groove of DNA forming DNA interstrand and intrastrand cross-linked adducts. SG2057 is a highly active antitumor agent[1].

  • CAS Number: 260417-62-7
  • MF: C33H36N4O6
  • MW: 584.662
  • Catalog: ADC Cytotoxin
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 820.0±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 449.7±34.3 °C

LONGISTYLINE A

Longistyline A (Longistylin A) is a natural stilbene, it can be isolated from leaves of Cajanus cajan. Longistyline A shows antimicrobial activity against MRSA with an MIC value of 1.56 μg/mL. Longistyline A shows neuroprotective effects, it can be used for the research of infection and nerve diseases[1][2].

  • CAS Number: 64095-60-9
  • MF: C20H22O2
  • MW: 294.38700
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Spartalizumab

Spartalizumab (PDR001) is a humanized immunoglobulin 4 monoclonal antibody that binds PD-1 with subnanomolar activity and blocks interaction with PD-L1 and PD-L2. Spartalizumab can be used for the research of anaplastic thyroid carcinoma (ATC)[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N4-Bz-5'-O-DMTr-3'-deoxy-3'-fluoro-beta-D-xylofuranosyl cytidine-2'-CED-phosphoramidite

N4-Benzoyl-5’-O-(4,4’-dimethoxytrityl)-3’-deoxy-3’-fluoro-beta-D-xylofuranosyl cytidine-2’-CED-phosphoramidite is a phosphoramidite that can be used in the synthesis of oligonucleotides.

  • CAS Number: 1555759-30-2
  • MF: C46H51FN5O8P
  • MW: 851.90
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Formamide

Formamide is an amide derived from formic acid and has been used as solvent for many ionic compounds.

  • CAS Number: 75-12-7
  • MF: CH3NO
  • MW: 45.041
  • Catalog: Biochemical Assay Reagents
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 210.5±9.0 °C at 760 mmHg
  • Melting Point: 2-3 °C(lit.)
  • Flash Point: 81.1±18.7 °C

Tri-Salicylic Acid

Tri-Salicylic acid is the compound with similar properties of salicylic acid. Tri-Salicylic acid has the potential for the research of inflammation, obesity and cardiovascular diseases (extracted from patent US20170368079A1, compound III)[1].

  • CAS Number: 85531-17-5
  • MF: C21H14O7
  • MW: 378.33
  • Catalog: Cardiovascular Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Aminopropan-2-one hydrochloride

Aminoacetone hydrochloride is the simplest monopeptide. Aminoacetone hydrochloride is an intermediate in the metabolism of threonine and glycine. Aminoacetone hydrochloride is an endogenous substrate for semicarbazide-sensitive amine oxidase (SSAO), and can be used for determination of SSAO activity[1].

  • CAS Number: 7737-17-9
  • MF: C3H8ClNO
  • MW: 109.55
  • Catalog: Monoamine Oxidase
  • Density: 0.926g/cm3
  • Boiling Point: 120.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 26.8ºC

5-Hydroxy-2-pyridinemethanol

2-Hydroxymethyl-5-hydroxypyridine is isolated from the the matured, ripened and dried seeds of S. lychnophora.

  • CAS Number: 40222-77-3
  • MF: C6H7NO2
  • MW: 125.125
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 419.5±30.0 °C at 760 mmHg
  • Melting Point: 123-125ºC
  • Flash Point: 207.5±24.6 °C

Biorobin

Biorobin (Kaempferol 3-O-robinobioside), a flavonoid, significantly inhibits the human lymphocyte proliferation in vitro[1].

  • CAS Number: 17297-56-2
  • MF: C27H30O15
  • MW: 594.518
  • Catalog: Cancer
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 941.7±65.0 °C at 760 mmHg
  • Melting Point: 221-223℃
  • Flash Point: 312.8±27.8 °C

Anti-inflammatory agent 35

Anti-inflammatory agent 35 (compound 5a27) is an orally active curcumin analogue with anti-inflammatory activity. Anti-inflammatory agent 35 blocks mitogen-activated protein kinase (MAPK) signaling and p65 nuclear translocation of NF-kB. Anti-inflammatory agent 35 also inhibits yellow neutrophil infiltration and pro-inflammatory cytokine production. Anti-inflammatory agent 35 significantly attenuates lipopolysaccharide (LPS)-induced acute lung injury (ALI) in vivo[1].

  • CAS Number: 2293951-00-3
  • MF: C27H29NO8
  • MW: 495.52
  • Catalog: Interleukin Related
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Aldoxorubicin•HCl

Aldoxorubicin (INNO-206) hydrochloride is an albumin-binding proagent of Doxorubicin (DNA topoisomerase II inhibitor), which is released from albumin under acidic conditions. Aldoxorubicin hydrochloride (INNO-206) has potent antitumor activities in various cancer cell lines and in murine tumor models.

  • CAS Number: 1361563-03-2
  • MF: C37H43ClN4O13
  • MW: 787.21
  • Catalog: ADC Cytotoxin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

m-PEG12-COO-propanoic acid

m-PEG12-COO-propanoic acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2168540-50-7
  • MF: C29H56O16
  • MW: 660.75
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TKB245

TKB245 is a highly potent SARS-CoV-2 Mpro inhibitor that effectively blocks SARS-CoV-2 replication in VeroE6 cells[1].

  • CAS Number: 2892688-16-1
  • MF: C30H35F4N5O5S
  • MW: 653.69
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A