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Compound Detail

CHEMBL3984441

NINGETINIB
🧪 Phase II
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🧪 Phase II
Cc1c(C(=O)Nc2ccc(Oc3ccnc4cc(OCC(C)(C)O)ccc34)c(F)c2)c(=O)n(-c2ccccc2)n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3984441
Name NINGETINIB
Phase Phase II
Structure Type MOL
InChI Key VQYYQSZNRVQLIS-UHFFFAOYSA-N

Known Names

CT-053 FREE BASE CT-053-PTSA FREE BASE CT053PTSA FREE BASE Ningetinib
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
7
Publications
4
Known Names
1
Indications
5
Mechanisms

Molecular Properties

556.6
MW (Da)
5.37
ALogP
8
HBA
2
HBD
107.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -tinib

Extended Properties

Molecular Formula C31H29FN4O5
MW 556.59
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -1.21

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Hepatocyte growth factor receptor inhibitor INHIBITOR Hepatocyte growth factor receptor ✓ ✓
Vascular endothelial growth factor receptor 2 inhibitor INHIBITOR Vascular endothelial growth factor receptor 2 ✓ ✓
Proto-oncogene tyrosine-protein kinase MER inhibitor INHIBITOR Tyrosine-protein kinase Mer ✓ ✓
Tyrosine-protein kinase receptor FLT3 inhibitor INHIBITOR Receptor-type tyrosine-protein kinase FLT3 ✓ ✓
Tyrosine-protein kinase receptor UFO inhibitor INHIBITOR Tyrosine-protein kinase receptor UFO ✓ ✓

Indications

Carcinoma, Non-Small-Cell Lung

Activity Summary

IC50 10 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
 IC50 9.0 8.48 1.0 2
Hepatocyte growth factor receptor
CHEMBL3717
 IC50 8.17 7.635 6.7 4
MKN-45
CHEMBL614354
 IC50 8.15 8.15 7.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 7.43 7.43 37.0 1
SNU-5
CHEMBL614934
 IC50 7.22 7.22 60.0 1
Hs746T
CHEMBL614579
 IC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase receptor UFO IC50 = 1.0 nM 9.0 Inhibition of AXL (unknown origin) 38169272
Hepatocyte growth factor receptor IC50 = 6.7 nM 8.17 Inhibition of c-MET (unknown origin) 38169272
MKN-45 IC50 = 7.0 nM 8.15 Antiproliferative activity against human MKN-45 cells assessed as inhibition of ... 37262349
Tyrosine-protein kinase receptor UFO IC50 = 11.0 nM 7.96 Kinase Assay: Axl (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM KK... -
Hepatocyte growth factor receptor IC50 = 19.0 nM 7.72 Kinase Assay: Met (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM KK... -
Hepatocyte growth factor receptor IC50 = 33.39 nM 7.48 Inhibition of c-MET (unknown origin) 38733884
Vascular endothelial growth factor receptor 2 IC50 = 37.0 nM 7.43 Kinase Assay: KDR (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 0.33 mg/m... -
SNU-5 IC50 = 60.0 nM 7.22 Antiproliferative activity against human SNU-5 cells assessed as inhibition of c... 37262349
Hepatocyte growth factor receptor IC50 = 68.0 nM 7.17 Inhibition of MET (unknown origin) 37262349
Hs746T IC50 = 140.0 nM 6.85 Antiproliferative activity against human Hs746T cells assessed as inhibition of ... 37262349

Literature References

PubMed DOI Target Context # Activities
37262349 10.1021/acs.jmedchem.3c00028 Hepatocyte growth factor receptor 1
37262349 10.1021/acs.jmedchem.3c00028 MKN-45 1
37262349 10.1021/acs.jmedchem.3c00028 SNU-5 1
37262349 10.1021/acs.jmedchem.3c00028 Hs746T 1
38169272 10.1016/j.ejmech.2023.116090 Hepatocyte growth factor receptor 1
38169272 10.1016/j.ejmech.2023.116090 Tyrosine-protein kinase receptor UFO 1
38733884 10.1016/j.ejmech.2024.116477 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine