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Compound Detail

CHEMBL2079588

TELATINIB
🧪 Phase II
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🧪 Phase II
CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c3ccoc23)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079588
Name TELATINIB
Phase Phase II
Structure Type MOL
InChI Key QFCXANHHBCGMAS-UHFFFAOYSA-N

Known Names

BAY 57-9352 Bay-57-9352 BAY-579352 Telatinib
6
Targets
10
Activities
2
Assay Types
0
PK Parameters
20
Publications
4
Known Names
2
Indications
4
Mechanisms

Molecular Properties

409.8
MW (Da)
3.95
ALogP
7
HBA
2
HBD
102.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -tinib

Extended Properties

Molecular Formula C20H16ClN5O3
MW 409.83
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.96

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Stem cell growth factor receptor inhibitor INHIBITOR Mast/stem cell growth factor receptor Kit ✓ ✓
Platelet-derived growth factor receptor beta inhibitor INHIBITOR Platelet-derived growth factor receptor beta ✓ ✓
Vascular endothelial growth factor receptor 2 inhibitor INHIBITOR Vascular endothelial growth factor receptor 2 ✓ ✓
Vascular endothelial growth factor receptor 3 inhibitor INHIBITOR Vascular endothelial growth factor receptor 3 ✓ ✓

Indications

Stomach Neoplasms Neoplasms

Activity Summary

IC50 7 meas. best 9.0
Kd 3 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 IC50 9.0 9.0 1.0 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
 IC50 8.4 8.4 4.0 2
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 8.22 8.22 6.0 3
Platelet-derived growth factor receptor beta
CHEMBL1913
 IC50 7.82 7.82 15.0 1
Integrin-linked protein kinase
CHEMBL5247
 Kd 7.5 7.5 32.0 1
Mitogen-activated protein kinase kinase kinase 20
CHEMBL3886
 Kd 6.32 6.32 477.0 1
Platelet-derived growth factor receptor beta
CHEMBL1913
 Kd 6.26 6.26 555.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mast/stem cell growth factor receptor Kit IC50 = 1.0 nM 9.0 Inhibition of c-Kit (unknown origin) 34351741
Vascular endothelial growth factor receptor 3 IC50 = 4.0 nM 8.4 Inhibition of VEGFR3 23098265
Vascular endothelial growth factor receptor 3 IC50 = 4.0 nM 8.4 Inhibition of VEGFR3 (unknown origin) 34351741
Vascular endothelial growth factor receptor 2 IC50 = 6.0 nM 8.22 Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay 20869793
Vascular endothelial growth factor receptor 2 IC50 = 6.0 nM 8.22 Inhibition of VEGFR2 23098265
Vascular endothelial growth factor receptor 2 IC50 = 6.0 nM 8.22 Inhibition of VEGFR2 (unknown origin) 34351741
Platelet-derived growth factor receptor beta IC50 = 15.0 nM 7.82 Inhibition of PDGFRbeta (unknown origin) 34351741
Integrin-linked protein kinase Kd = 32.0 nM 7.5 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Mitogen-activated protein kinase kinase kinase 20 Kd = 477.0 nM 6.32 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Platelet-derived growth factor receptor beta Kd = 555.0 nM 6.26 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878

Literature References

PubMed DOI Target Context # Activities
29191878 10.1126/science.aan4368 Unchecked 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
29191878 10.1126/science.aan4368 Peroxisomal acyl-coenzyme A oxidase 3 1
29191878 10.1126/science.aan4368 Atypical kinase COQ8A, mitochondrial 1
29191878 10.1126/science.aan4368 AarF domain-containing protein kinase 1 1
29191878 10.1126/science.aan4368 Activin receptor type-1B 1
29191878 10.1126/science.aan4368 Activin receptor type-1 1
29191878 10.1126/science.aan4368 Actin-related protein 3 1
29191878 10.1126/science.aan4368 Actin-related protein 2 1
29191878 10.1126/science.aan4368 Long-chain-fatty-acid--CoA ligase 5 1
29191878 10.1126/science.aan4368 Very long-chain specific acyl-CoA dehydrogenase, mitochondrial 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 10 1
34351741 10.1021/acs.jmedchem.1c00678 Mast/stem cell growth factor receptor Kit 1
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL1 1
29191878 10.1126/science.aan4368 AP2-associated protein kinase 1 1
- 10.6019/CHEMBL3301361 No relevant target 1
23098265 10.1021/jm301085w Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine