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Compound Detail

CHEMBL3989914

GLESATINIB
🧪 Phase II
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🧪 Phase II
COCCNCc1ccc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccc(F)cc5)cc4F)c3s2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3989914
Name GLESATINIB
Phase Phase II
Structure Type MOL
InChI Key YRCHYHRCBXNYNU-UHFFFAOYSA-N

Known Names

Glesatinib MG-90265 MG-90265X MG90265 MG90265gly MG90265H9 MG90265X Mgcd-265 MGCD265
23
Targets
29
Activities
2
Assay Types
0
PK Parameters
20
Publications
9
Known Names
2
Indications
4
Mechanisms

Molecular Properties

619.7
MW (Da)
6.22
ALogP
8
HBA
3
HBD
97.4
PSA (Ų)
0.12
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -tinib
USAN Year 2016

Extended Properties

Molecular Formula C31H27F2N5O3S2
MW 619.72
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -1.77

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Hepatocyte growth factor receptor inhibitor INHIBITOR Hepatocyte growth factor receptor ✓ ✓
Macrophage-stimulating protein receptor inhibitor INHIBITOR Macrophage-stimulating protein receptor ✓ ✓
Vascular endothelial growth factor receptor inhibitor INHIBITOR Vascular endothelial growth factor receptor ✓ ✓
Tyrosine-protein kinase TIE-2 inhibitor INHIBITOR Angiopoietin-1 receptor ✓ ✓

Indications

Carcinoma, Non-Small-Cell Lung Neoplasms

Activity Summary

Kd 20 meas. best 7.04
IC50 9 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 9.0 7.88 1.0 2
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 9.0 7.95 1.0 4
KB 3-1
CHEMBL614590
 IC50 8.4 8.4 4.0 1
Tyrosine-protein kinase Lck
CHEMBL258
 Kd 7.04 7.04 92.0 1
Hepatocyte growth factor receptor
CHEMBL3717
 Kd 7.0 7.0 99.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 Kd 6.75 6.75 179.0 1
Tyrosine-protein kinase ABL1
CHEMBL1862
 Kd 6.62 6.62 241.0 1
Tyrosine-protein kinase HCK
CHEMBL3234
 Kd 6.55 6.55 283.0 1
Tyrosine-protein kinase ABL2
CHEMBL4014
 Kd 6.5 6.5 315.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 Kd 6.47 6.47 337.0 1
Epithelial discoidin domain-containing receptor 1
CHEMBL5319
 Kd 6.26 6.26 549.0 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
 Kd 6.22 6.22 600.0 1
Breakpoint cluster region protein
CHEMBL5146
 Kd 6.07 6.07 858.0 1
Tyrosine-protein kinase Lyn
CHEMBL3905
 Kd 6.05 6.05 890.0 1
Protein-tyrosine kinase 6
CHEMBL4601
 Kd 6.01 6.01 983.0 1
SARS-CoV-2
CHEMBL4303835
 IC50 5.98 5.98 1040.0 2
Tyrosine-protein kinase FRK
CHEMBL4223
 Kd 5.96 5.96 1104.0 1
Tyrosine-protein kinase Fyn
CHEMBL1841
 Kd 5.91 5.91 1239.0 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
 Kd 5.85 5.85 1425.0 1
Discoidin domain-containing receptor 2
CHEMBL5122
 Kd 5.83 5.83 1493.0 1
Non-receptor tyrosine-protein kinase TNK1
CHEMBL5334
 Kd 5.83 5.83 1495.0 1
Macrophage-stimulating protein receptor
CHEMBL2689
 Kd 5.63 5.63 2320.0 1
Tyrosine-protein kinase SYK
CHEMBL2599
 Kd 5.57 5.57 2677.0 1
Platelet-derived growth factor receptor beta
CHEMBL1913
 Kd 5.56 5.56 2776.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vascular endothelial growth factor receptor 2 IC50 = 1.0 nM 9.0 Inhibition of VEGFR2 (unknown origin) 26555154
Hepatocyte growth factor receptor IC50 = 1.0 nM 9.0 Inhibition of MET (unknown origin) 26555154
KB 3-1 IC50 = 4.0 nM 8.4 Antiproliferative activity against human KB-3-1 cells assessed as cell growth in... 38733884
Hepatocyte growth factor receptor IC50 = 19.0 nM 7.72 Inhibition of MET (unknown origin) 37262349
Hepatocyte growth factor receptor IC50 = 29.0 nM 7.54 Inhibition of c-Met (unknown origin) 24792774
Hepatocyte growth factor receptor IC50 = 29.0 nM 7.54 Inhibition of c-Met (unknown origin) 27524312
Tyrosine-protein kinase Lck Kd = 92.0 nM 7.04 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Hepatocyte growth factor receptor Kd = 99.0 nM 7.0 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Vascular endothelial growth factor receptor 2 IC50 = 172.0 nM 6.76 Inhibition of VEGFR-2 (unknown origin) by cell based assay 39088797
Receptor-type tyrosine-protein kinase FLT3 Kd = 179.0 nM 6.75 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Tyrosine-protein kinase ABL1 Kd = 241.0 nM 6.62 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Tyrosine-protein kinase HCK Kd = 283.0 nM 6.55 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Tyrosine-protein kinase ABL2 Kd = 315.0 nM 6.5 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Proto-oncogene tyrosine-protein kinase Src Kd = 337.0 nM 6.47 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Epithelial discoidin domain-containing receptor 1 Kd = 549.0 nM 6.26 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Mitogen-activated protein kinase kinase kinase kinase 4 Kd = 600.0 nM 6.22 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Breakpoint cluster region protein Kd = 858.0 nM 6.07 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Tyrosine-protein kinase Lyn Kd = 890.0 nM 6.05 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
Protein-tyrosine kinase 6 Kd = 983.0 nM 6.01 Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase ... 29191878
SARS-CoV-2 IC50 = 1040.0 nM 5.98 Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... -

Literature References

PubMed DOI Target Context # Activities
29191878 10.1126/science.aan4368 Unchecked 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
- 10.6019/CHEMBL4495565 Vero C1008 2
- 10.6019/CHEMBL4495565 ADMET 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
29191878 10.1126/science.aan4368 Long-chain-fatty-acid--CoA ligase 5 1
29191878 10.1126/science.aan4368 Uncharacterized aarF domain-containing protein kinase 5 1
29191878 10.1126/science.aan4368 Atypical kinase COQ8A, mitochondrial 1
29191878 10.1126/science.aan4368 Activin receptor type-2B 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 Very long-chain specific acyl-CoA dehydrogenase, mitochondrial 1
29191878 10.1126/science.aan4368 Acyl-CoA dehydrogenase family member 11 1
38733884 10.1016/j.ejmech.2024.116477 KB 3-1 1
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL2 1
29191878 10.1126/science.aan4368 Tyrosine-protein kinase ABL1 1
29191878 10.1126/science.aan4368 AP2-associated protein kinase 1 1
26555154 10.1021/acs.jmedchem.5b01273 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine