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Compound Detail

CHEMBL337157

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CC(C)Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21

Basic Information

ChEMBL ID CHEMBL337157
Phase Preclinical
Structure Type MOL
InChI Key AQUXBIDNWAFZLO-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

363.2
MW (Da)
4.00
ALogP
5
HBA
1
HBD
73.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16Cl2N4O
MW 363.25
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.88

Activity Summary

IC50 3 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor
CHEMBL2111391
IC50 6.3 6.3 500.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3074
IC50 6.05 6.05 890.0 1
Platelet-derived growth factor receptor
CHEMBL2096980
IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9784112 10.1021/jm980398y Platelet-derived growth factor receptor 1
9784112 10.1021/jm980398y Fibroblast growth factor receptor 1
9784112 10.1021/jm980398y Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine