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

F(N-Me)GA(N-Me)IL

F(N-Me)GA(N-Me)IL is a biological active peptide. (Double N-methylated derivatives of amyloidogenic and cytotoxic partial IAPP sequence were found to be devoid of β-sheet structure, amyloidogenicity and cytotoxicity, The derivatives were able to interact with the native sequences and inhibit amyloid formation)

  • CAS Number: 409085-40-1
  • MF: C28H45N5O6
  • MW: 547.69
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-Hydroxybakuchiol

3-Hydroxybakuchiol can be isolated from Otholobium mexicanum J. W. Grimes. 3-Hydroxybakuchiol is an electron transport chain (ETC) inhibitor. 3-Hydroxybakuchiol has antitumor activity, and induces tumor cell apoptosis. 3-Hydroxybakuchiol also has moderate inhibitory activity against α-glucosidase (IC50: 345 μM)[1][2].

  • CAS Number: 178765-54-3
  • MF: C18H24O2
  • MW: 272.382
  • Catalog: Apoptosis
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 437.6±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 200.4±23.3 °C

Methylophiopogonone B

Methylophiopogonone B, a homoisoflavonoidal compound that could be isolated from Ophiopogonis Tiber, could scavenge •OH and H2O2 in vitro to a certain extent[1][2].

  • CAS Number: 74805-89-3
  • MF: C19H18O5
  • MW: 326.343
  • Catalog: Metabolic Disease
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 547.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 199.7±23.6 °C

GN 44028

GN44028 is a hypoxia inducible factor (HIF)-1 inhibitor, with an IC50 of 14 nM. GN44028 inhibits hypoxia-induced HIF-1α transcriptional activity without suppressing HIF-1α mRNA expression, HIF-1α protein accumulation, or HIF-1α/HIF-1β heterodimerization[1].

  • CAS Number: 1421448-26-1
  • MF: C18H15N3O2
  • MW: 305.33
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Gly-Leu-OH

Glycyl-l-leucine is a dipeptide that can be a common substrate for glycyl-leucine dipeptidase.

  • CAS Number: 869-19-2
  • MF: C8H16N2O3
  • MW: 188.224
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 410.4±30.0 °C at 760 mmHg
  • Melting Point: 233-235 °C(lit.)
  • Flash Point: 202.0±24.6 °C

Raphin1 acetate

Raphin1 acetate is an orally bioavailable, selective inhibitor of the regulatory phosphatase PPP1R15B (R15B). Raphin1 acetate binds strongly to the R15B-PP1c holophosphatase (Kd=33 nM), and shows ~30-fold selective in binding R15B-PP1c over R15A-PP1c. Raphin1 acetate crosses the blood-brain barrier, and reduces organismal and molecular deficits in a mouse model of a protein misfolding disease[1].

  • CAS Number: 2242616-04-0
  • MF: C10H12Cl2N4O2
  • MW: 291.13
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NSC16168

NSC16168 is a specific inhibitor of ERCC1-XPF, with an IC50 value of 0.42 μM. NSC16168 inhibits DNA repair and potentiates CDDP efficacy in cancer[1].

  • CAS Number: 6837-93-0
  • MF: C17H15NO9S3
  • MW: 473.49700
  • Catalog: Cancer
  • Density: 1.683g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Miltipolone

Miltipolone is a potent cytotoxic compound isolated from the fresh roots of Salvia divinorum[1].

  • CAS Number: 131086-61-8
  • MF: C19H24O3
  • MW: 300.39200
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antimicrobial agent-4

Antimicrobial agent-4 (compound 6a) is a potent antimicrobial agent. Antimicrobial agent-4 exhibits considerable activity against the microbial pathogens. Antimicrobial agent-4 delivers reliable toxicity to kill the bacteria and fungi. Antimicrobial agent-4 shows high binding energy value of −10.0 kcal/mole against the target enzyme[1].

  • CAS Number: 2429922-67-6
  • MF: C22H16ClN5O2S
  • MW: 449.91
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Thalidomide-4-NH-PEG1-NH2 TFA

Thalidomide-4-NH-PEG1-NH2 TFA is an E3 Ligase Ligand-Linker Conjugate consisting of Thalidomide (HY-14658) and NH-PEG3-NH-Boc. Thalidomide-4-NH-PEG1-NH2 TFA acts as a ligand for Cereblon to recruit CRBN protein. Thalidomide-4-NH-PEG1-NH2 TFA is a key intermediate in the synthesis of CRBN-based PROTAC molecules.

  • CAS Number: 2490499-21-1
  • MF: C19H21F3N4O7
  • MW: 474.39
  • Catalog: E3 Ligase Ligand-Linker Conjugate
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ethyl coumarin-3-carbaoxylate

Ethyl 3-coumarincarboxylate is a coumarin derivative. Ethyl 3-coumarincarboxylate can be used as a pseudo-template to give a molecularly imprinted polymer (MIP) that has a fairly specific recognition capability for aflatoxins[1].

  • CAS Number: 1846-76-0
  • MF: C12H10O4
  • MW: 218.205
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 378.0±30.0 °C at 760 mmHg
  • Melting Point: 92-94 °C(lit.)
  • Flash Point: 195.6±23.0 °C

3',5'-Bis-O-benzoyl-2'-deoxy-2'-fluoro-4-deoxy-arabinouridine

3',5'-Bis-O-benzoyl-2'-deoxy-2'-fluoro-4-deoxy-arabinouridine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

  • CAS Number: 136675-87-1
  • MF: C23H19FN2O6
  • MW: 438.41
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 585.4±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 307.8±32.9 °C

Neuropeptide Y5 receptor ligand-1

Neuropeptide Y5 receptor ligand-1 (compound 54), a carbazole derivative, is a potent neuropeptide Y5 (NPY-5) receptor antagonist[1].

  • CAS Number: 322723-35-3
  • MF: C19H17N3O2
  • MW: 319.36
  • Catalog: Neuropeptide Y Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tertiapin-Q trifluoroacetate salt

Tertiapin-Q is a highly selective blocker of GIRK1/4 heterodimer and ROMK1 (Kir1.1).

  • CAS Number: 910044-56-3
  • MF: C106H175N35O24S4
  • MW: 2452.004
  • Catalog: Peptides
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bacopasaponin C

Bacopasaponin C is an indigenous glycoside isolated from Bacopa monniera, with antitumor and anti-leishmanial activities[1][2].

  • CAS Number: 178064-13-6
  • MF: C46H74O17
  • MW: 899.070
  • Catalog: Cancer
  • Density: 1.4±0.0 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

mAChR antagonist 1

mAChR antagonist 1 (compound 4a) is a mAChR antagonist with Ki values of 255 nM, 121 nM, 158 nM, and 255 nM for M1, M3, M4, and M5 subtype, respectively[1].

  • CAS Number: 101491-79-6
  • MF: C19H22N2O2
  • MW: 310.39000
  • Catalog: mAChR
  • Density: 1.18g/cm3
  • Boiling Point: 437ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 218.1ºC

Thymopoietin II: 32-35

Thymocartin (Thymopoietin II (32-35)) is the 32-35 fragment of the thymic factor (thymopoietin). Thymocartin has shown potential for immunodeficiency diseases research[1][2].

  • CAS Number: 85466-18-8
  • MF: C21H40N8O7
  • MW: 516.59200
  • Catalog: Inflammation/Immunology
  • Density: 1.45g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GNE-9815

GNE-9815 is among the most highly kinase-selective RAF inhibitors targeting KRAS mutant cancers via combination treatment.

  • CAS Number: 2729996-45-4
  • MF: C26H22FN5O2
  • MW: 455.48
  • Catalog: Raf
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AEZS-108

Zoptarelin doxorubicin (AEZS-108; AN-152) is a hybrid anticancer agent, containing Zoptarelin and Doxorubicin. Zoptarelin doxorubicin has been used to research targeting tumors expressing LHRH receptors. Zoptarelin doxorubicin abolishes tumor progression and induces remarkable apoptosis in vitro[1].

  • CAS Number: 139570-93-7
  • MF: C91H117N19O26
  • MW: 1893.014
  • Catalog: Cancer
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

cladribine related compound a (20 mg) (2-methoxy-2'-deoxyadenosine)

2-Methoxy-2’-deoxyadenosine is an adenosine analog. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. Its popular products are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].

  • CAS Number: 24757-70-8
  • MF: C11H15N5O4
  • MW: 281.27
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Acetyl-3,5-dihydroxyphenylacetic acid

Curvulinic acid is a phytotoxic compound, has herbicidal activity[1].

  • CAS Number: 19053-94-2
  • MF: C10H10O5
  • MW: 210.18300
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

3-C-Carboxy-2-deoxypentaric acid

Hydroxycitric acid is a natural antiobesity agent, that can be isolated from the fruits of Garcinia gummi-gutta (L.) Roxb[1].

  • CAS Number: 6205-14-7
  • MF: C6H8O8
  • MW: 208.12
  • Catalog: Metabolic Disease
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: 393.3±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 205.8±24.4 °C

Fludarabine phosphate

Fludarabine (phosphate) is an analogue of adenosine and deoxyadenosine, which is able to compete with dATP for incorporation into DNA and inhibit DNA synthesis.

  • CAS Number: 75607-67-9
  • MF: C10H13FN5O7P
  • MW: 365.212
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 2.4±0.1 g/cm3
  • Boiling Point: 864.2±75.0 °C at 760 mmHg
  • Melting Point: 203 °C(dec.)
  • Flash Point: 476.4±37.1 °C

TC-G 24

TC-G 24 (Compound 24) is a potent, selective glycogen synthase kinase-3β (GSK-3β) inhibitor with an IC50 of 17.1 nM. TC-G 24 can cross the BBB and can be used for studying many diseases such as type 2 diabetes mellitus, stroke, Alzheimer, and other related diseases[1].

  • CAS Number: 1257256-44-2
  • MF: C15H11ClN4O3
  • MW: 330.73
  • Catalog: GSK-3
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Bentazon

Bentazone is a post-emergence herbicide used for selective control of broadleaf weeds and sedges in beans, rice, corn, peanuts, mint and others. It acts by interfering with photosynthesis[1].

  • CAS Number: 25057-89-0
  • MF: C10H12N2O3S
  • MW: 240.279
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 395.7±25.0 °C at 760 mmHg
  • Melting Point: 137-139°C
  • Flash Point: 193.1±23.2 °C

Lapaquistat Acetate

Lapaquistat acetate (TAK-475) is a squalene synthase inhibitor, blocking the conversion of farnesyl diphosphate (FPP) to squalene[1]. Lapaquistat acetate (TAK-475) is originally intended use to Mevalonate Kinase Deficiency (MKD), it is effective at lowering low-density lipoprotein cholesterol, but it might cause liver damage[2].

  • CAS Number: 189060-13-7
  • MF: C33H41ClN2O9
  • MW: 645.14000
  • Catalog: Farnesyl Transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Entadamide A 2'-O-(6''-O-β-D-glucopyranosyl)-β-D-glucopyranoside

Entadamide A 2'-O-(6''-O-β-D-glucopyranosyl)-β-D-glucopyranoside (MFLNH I) (compound 5) can be isolated from the seed kernel of Entada rheedei. Entada rheedei is a medicinal plant from Thailand that is used to suppress stomach pain[1].

  • CAS Number: 1427191-48-7
  • MF: C18H31NO12S
  • MW: 485.5
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SLU-PP-1072

SLU-PP-1072 is a dual ERRα/γ inverse agonist, used in Prostate cancer (PCa) research. SLU-PP-1072 disrupts PCa cell metabolism, and induces apoptosis via dysregulating cell cycle[1].

  • CAS Number: 2285432-57-5
  • MF: C18H12N2O3S
  • MW: 336.36
  • Catalog: Endocrinology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Soybean phospholipid

Lecithin is regarded as a safe, conventional phospholipid source. Phospholipids are reported to alter the fatty acid composition and microstructure of the membranes in animal cells.

  • CAS Number: 8002-43-5
  • MF: C42H80NO8P
  • MW: 758.060
  • Catalog: Others
  • Density: 1.0305 g/cm3 (20ºC)
  • Boiling Point: N/A
  • Melting Point: 236.1ºC
  • Flash Point: 57 °C

Kielcorin

Kielcorin is a xanthonethat can be found in Kielmeyera variabilis[1].

  • CAS Number: 64280-48-4
  • MF: C24H20O8
  • MW: 436.41
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A