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

Antifungal agent 84

Antibacterial agent 84 is an antifungal compound. Antibacterial agent 84 inhibits candidiasis in a CNB1-dependent way. Antibacterial agent 84 inhibits the C. albicans biofilm's viability[1].

  • CAS Number: 2901064-07-9
  • MF: C25H19BrClFN6O
  • MW: 553.81
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

S-(-)-Warfarin-d5

S-(-)-Warfarin-d5 is deuterium labeled S-(-)-Warfarin. S-(-)-Warfarin is a more potent enantiomer of Warfarin as a vitamin K antagonist with anticoagulant effect[1].

  • CAS Number: 791013-22-4
  • MF: C19H11D5O4
  • MW: 313.36
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

benzoyl-l-leucine

N-Benzoyl-L-leucine is a leucine derivative[1].

  • CAS Number: 1466-83-7
  • MF: C13H17NO3
  • MW: 235.27900
  • Catalog: Others
  • Density: 1.132g/cm3
  • Boiling Point: 458.8ºC at 760mmHg
  • Melting Point: 102-103 °C
  • Flash Point: 231.3ºC

Octadecyl (2E)-3-(3,4-dihydroxyphenyl)acrylate

Octadecyl caffeate is a caffeate ester that can be isolated from Merremia tuberosa[1].

  • CAS Number: 69573-60-0
  • MF: C27H44O4
  • MW: 432.64
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 560.9±40.0 °C at 760 mmHg
  • Melting Point: 110-112℃ (chloroform )
  • Flash Point: 175.5±20.8 °C

Antibacterial agent 101

Antibacterial agent 101 (Compd 7f) is an antimicrobial (antibacterial and antifungal) agent, with MIC values between 4 and 32 µg/mL[1].

  • CAS Number: 2452306-15-7
  • MF: C28H29BrN2O
  • MW: 489.45
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Myriocin

Myriocin, a fungal metabolite isolated from Myriococcum albomyces, Isaria sinclairi and Mycelia sterilia, is a potent inhibitor of serine-palmitoyl-transferase (SPT) and a key enzyme in de novo synthesis of sphingolipids[1]. Myriocin strongly suppresses replication of both the subgenomic HCV-1b replicon and the JFH-1 strain of genotype 2a infectious HCV[2], with an IC50 of 3.5 µg/mL for inhibiting HCV infection[3].

  • CAS Number: 35891-70-4
  • MF: C21H39NO6
  • MW: 401.538
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 636.7±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 338.8±31.5 °C

Biotin-β-Amyloid (1-40)

Biotin-β-Amyloid (1-40) is a N-terminal-labelled biotinylated amyloid-ß-(1-40) peptide.

  • CAS Number: 183906-14-1
  • MF: C26H28N6O4
  • MW: 488.538
  • Catalog: Neurological Disease
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 748.0±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 406.2±32.9 °C

KRAS inhibitor-7

KRAS inhibitor-7 is a potent KRAS G12C inhibitor, extracted from patent WO2017087528A1, compound B[1].

  • CAS Number: 2022986-68-9
  • MF: C26H27ClF2N6O2
  • MW: 528.98
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

methyl 6-acetoxyangolensate

Methyl 6-acetoxyangolensate (compound 37) is a limonoid, which can be isolated from isolated the leaves and twigs of Khaya senegalensis[1].

  • CAS Number: 16566-88-4
  • MF: C29H36O9
  • MW: 528.59
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 645.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 344.0±31.5 °C

Quercetin 3,4'-dimethyl ether

Quercetin 3,4′-dimethyl ether (3,4′-Dimethylquercetin) is a dimethoxyflavone can be isolated from Combretum quadrangulare. Quercetin 3,4′-dimethyl ether overcomes TRAIL resistance by enhancing DR5 expression and has anti-tumor activity[1].

  • CAS Number: 33429-83-3
  • MF: C17H14O7
  • MW: 330.29
  • Catalog: Cancer
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 607.0±55.0 °C at 760 mmHg
  • Melting Point: 229-230ºC
  • Flash Point: 227.3±25.0 °C

m-PEG-OH (MW 2000)

m-PEG-OH (MW 2000) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 9004-74-4
  • MF: C23H48O12
  • MW: 516.620
  • Catalog: PROTAC Linker
  • Density: 1.08
  • Boiling Point: 557.1±45.0 °C at 760 mmHg
  • Melting Point: 12 ºC
  • Flash Point: 268 ºC

Cadazolid

Cadazolid (ACT-179811) is a new oxazolidinone antibiotic with potent activity against Clostridium difficile.

  • CAS Number: 1025097-10-2
  • MF: C29H29F2N3O8
  • MW: 585.553
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 832.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 457.4±34.3 °C

Tosufloxacin tosylate hydrate

Tosufloxacin (tosylate hydrate) is a fluoroquinolone antibacterial agent. Tosufloxacin (tosylate hydrate) is effective against Gram-positive and Gram-negative aerobic bacteria, anaerobic bacteria and Chlamydia trachomatis. Tosufloxacin (tosylate hydrate) is also a bacterial Topo (DNA gyrase, topoisomerase)) inhibitor.

  • CAS Number: 1400591-39-0
  • MF: C26H25F3N4O7S
  • MW: 594.56000
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

6'-O-Cinnamoyl-8-epikingisidic acid

6'-O-Cinnamoyl-8-epikingisidic acid (6'-O-trans-cinnamoyl 8-epikingisidic acid) is a secoiridoid constituent isolated from the dried fruits of Ligustrum lucidum AIT[1].

  • CAS Number: 1403984-03-1
  • MF: C25H28O12
  • MW: 520.483
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 804.9±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 272.5±27.8 °C

proTAME

proTAME is a cell permeable prodrug of TAME, which is an anaphase-promoting complex/cyclosome (APC/C) inhibitor that binds to the APC preferentially suppresses APC/C(Cdc20); arrests cells in metaphase without perturbing the spindle, but is dependent on the spindle assembly checkpoint (SAC); efficiently targets osteosarcoma in vitro combined with chemotherapeutic agents.

  • CAS Number: 1362911-19-0
  • MF: C34H38N4O12S
  • MW: 726.750
  • Catalog: APC
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BRD5648

BRD5648 ((R)-BRD0705) is an inactive (R)-enantiomer of BRD0705. BRD0705 is a potent, paralog selective and orally active GSK3α inhibitor with an IC50 of 66 nM and a Kd of 4.8 μM. BRD0705 displays increased selectivity for GSK3α (8-fold) versus GSK3β (IC50 of 515 nM). BRD0705 can be used for acute myeloid leukemia (AML)[1][2].

  • CAS Number: 2056261-42-6
  • MF: C20H23N3O
  • MW: 321.42
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fmoc-His-OH

(((9H-Fluoren-9-yl)methoxy)carbonyl)-L-histidine is a histidine derivative[1].

  • CAS Number: 116611-64-4
  • MF: C21H19N3O4
  • MW: 377.393
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 706.7±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 381.2±32.9 °C

N-Bromoacetamide

N-Bromoacetamide can irreversibly remove sodium channel inactivation in the cytoplasmic face of the membrane, also decreasing K current rapid inactivation[1][2].

  • CAS Number: 79-15-2
  • MF: C2H4BrNO
  • MW: 137.96
  • Catalog: Peptides
  • Density: 1.71 g/cm3
  • Boiling Point: N/A
  • Melting Point: 102-105°C
  • Flash Point: N/A

Chitopentaose Pentahydrochloride Hydrate

Chitopentaose pentahydrochloride is a chitosan oligosaccharide with anti-inflammatory effect. Chitopentaose pentahydrochloride is a substrate of gene encoding chitinase B (FjchiB)[1][2].

  • CAS Number: 117467-64-8
  • MF: C30H62Cl5N5O21
  • MW: 1006.10
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(E)-[6]-Dehydroparadol

(E)-[6]-Dehydroparadol, extracted from patent US 9272994, compound M15, shows growth inhibition and induction of apoptosis against human cancer cells with IC50 values of 43.02 μM in HCT-116 cell and 41.59 μM in H-1299 cell, respectively.

  • CAS Number: 878006-06-5
  • MF: C17H24O3
  • MW: 276.37100
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-Azidomethyl-uridine

5-Azidomethyl-uridine is a click chemistry reagent containing an azide group.The azide function is widely used for coupling to alkyne-containing fragments via the renowned Click reaction[1].

  • CAS Number: 24751-67-5
  • MF: C10H13N5O6
  • MW: 299.240
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CDN 1163

CDN1163 is a sarco/endoplasmic reticulum Ca2+-ATPase (SERCA) activator.

  • CAS Number: 892711-75-0
  • MF: C20H20N2O2
  • MW: 320.385
  • Catalog: Calcium Channel
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 430.4±35.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 214.1±25.9 °C

N-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl]-L-leucine

N-[[4-Chloro-3-(trifluoromethyl)phenyl]sulfonyl]-L-leucine is a leucine derivative[1].

  • CAS Number: 1038619-52-1
  • MF: C13H15ClF3NO4S
  • MW: 373.78
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Azaphen

Pipofezine(Azafen or Azaphen) is a potent inhibitor of the reuptake of serotonin. IC50 Value: Target: SSRIsPipofezine is a tricyclic antidepressant (TCA) approved in Russia for the treatment of depression. In addition to its antidepressant action, pipofezine has sedative effects as well, indicating antihistamine activity.

  • CAS Number: 24853-80-3
  • MF: C16H21Cl2N5O
  • MW: 370.27700
  • Catalog: Serotonin Transporter
  • Density: N/A
  • Boiling Point: 536ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 278ºC

PPO-IN-3

PPO-IN-3 (Compound 8ad) is a PPO inhibitor with an KI value of 0.67 nM. PPO-IN-3 has post-emergence herbicidal activity. PPO-IN-3 can be used for weed control[1].

  • CAS Number: 1879036-82-4
  • MF: C19H19ClFN3O2S2
  • MW: 439.95
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,4-Diamino-6-hydroxypyrimidine

2,4-Diamino-6-hydroxypyrimidine is a specific GTP cyclohydrolase I inhibitor (the rate-limiting enzyme in de novo pterin synthesis), blocks BH4 synthesis and suppresses NO production[1].

  • CAS Number: 56-06-4
  • MF: C4H6N4O
  • MW: 126.12
  • Catalog: Inflammation/Immunology
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 524.0±53.0 °C at 760 mmHg
  • Melting Point: 285-286 °C (dec.)(lit.)
  • Flash Point: 270.7±30.9 °C

Ac-Arg-Cys-Met-5-aminopentanoyl-Arg-Val-Tyr-5-aminopentanoyl-Cys-NH2 trifluoroacetate salt (Disulfide bond)

hMCH-1R antagonist 1 (Compound 30) is an effective and selective antagonist of human melanin-concentrating hormone receptor 1 (hMCHR1) with an KB value of 3.6 nM. HMCH-1R antagonist 1 can bind to hMCHR1 and hMCHR2 with IC50 values of 65 nM and 49 nM, respectively. HMCH-1R antagonistist 1 can be used for metabolic research[1].

  • CAS Number: 353487-64-6
  • MF: C49H82N16O11S3
  • MW: 1167.471
  • Catalog: MCHR1 (GPR24)
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ethylparaben

Ethylparaben is the ethyl ester of p-hydroxybenzoic acid, used as an antifungal preservative. and food additive

  • CAS Number: 120-47-8
  • MF: C9H10O3
  • MW: 166.174
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 297.5±0.0 °C at 760 mmHg
  • Melting Point: 114-117 °C(lit.)
  • Flash Point: 120.3±12.6 °C

5HT6-ligand-1

5HT6-ligand-1 is a potent 5-HT6 receptor ligand with a Ki of 1.43 nM.

  • CAS Number: 1038988-11-2
  • MF: C20H22BrN3O2S
  • MW: 448.38
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Topotecan hydrochloride

Topotecan Hydrochloride (SKF 104864A; NSC 609669) is a Topoisomerase I inhibitor with potent antineoplastic activities.

  • CAS Number: 119413-54-6
  • MF: C23H24ClN3O5
  • MW: 421.446
  • Catalog: Autophagy
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 782.9±60.0 °C at 760 mmHg
  • Melting Point: 213-218ºC
  • Flash Point: 427.3±32.9 °C