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Compound Detail

CHEMBL107472

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CNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL107472
Phase Preclinical
Structure Type MOL
InChI Key UZGZLCVPKWOCDZ-UHFFFAOYSA-N
8
Targets
10
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

335.2
MW (Da)
3.34
ALogP
5
HBA
1
HBD
59.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12Cl2N4O
MW 335.19
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.87

Activity Summary

IC50 10 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 6.12 6.12 750.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3655
 IC50 6.12 6.12 750.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 5.6 5.6 2500.0 2
HT-29
CHEMBL384
 IC50 5.39 5.39 4100.0 1
SW-620
CHEMBL612262
 IC50 5.3 5.3 5000.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
 IC50 5.21 5.21 6200.0 2
Epidermal growth factor receptor
CHEMBL203
 IC50 5.12 5.12 7500.0 1
HCT-8
CHEMBL613510
 IC50 5.11 5.11 7800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase Src IC50 = 750.0 nM 6.12 Inhibition of avian c-Src tyrosine kinase 9703473
Proto-oncogene tyrosine-protein kinase Src IC50 = 750.0 nM 6.12 Inhibitory activity against avian c-Src tyrosine kinase was determined. 10956222
Fibroblast growth factor receptor 1 IC50 = 2500.0 nM 5.6 Inhibitory concentration evaluated against fibroblast growth factor receptor 1. 9703473
Fibroblast growth factor receptor 1 IC50 = 2500.0 nM 5.6 Inhibitory activity against fibroblast growth factor receptor 1 10956222
HT-29 IC50 = 4100.0 nM 5.39 Inhibitory activity against HT-29 human colon adenocarcinoma cells was determine... 10956222
SW-620 IC50 = 5000.0 nM 5.3 Inhibitory activity against SW-620 human colon adenocarcinoma cells was determin... 10956222
Platelet-derived growth factor receptor beta IC50 = 6200.0 nM 5.21 Inhibitory concentration was evaluated against Platelet-derived growth factor re... 9703473
Platelet-derived growth factor receptor beta IC50 = 6200.0 nM 5.21 Inhibitory activity against mouse PDGF beta receptor tyrosine kinase 10956222
Epidermal growth factor receptor IC50 = 7500.0 nM 5.12 Inhibitory concentration was evaluated against epidermal growth factor receptor ... 9703473
HCT-8 IC50 = 7800.0 nM 5.11 Inhibitory activity against HCT-8 human colon adenocarcinoma cells was determine... 10956222

Literature References

PubMed DOI Target Context # Activities
9703473 10.1021/jm9802259 Platelet-derived growth factor receptor beta 1
9703473 10.1021/jm9802259 Fibroblast growth factor receptor 1 1
9703473 10.1021/jm9802259 Proto-oncogene tyrosine-protein kinase Src 1
9703473 10.1021/jm9802259 Epidermal growth factor receptor 1
10956222 10.1021/jm000148t Proto-oncogene tyrosine-protein kinase Src 1
10956222 10.1021/jm000148t Platelet-derived growth factor receptor beta 1
10956222 10.1021/jm000148t Fibroblast growth factor receptor 1 1
10956222 10.1021/jm000148t HCT-8 1
10956222 10.1021/jm000148t SW-620 1
10956222 10.1021/jm000148t HT-29 1

Data from ChEMBL 36 via Core Engine