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Compound Detail

CHEMBL137388

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Cn1c(=O)c(-c2ccsc2)cc2cnc(N)nc21

Basic Information

ChEMBL ID CHEMBL137388
Phase Preclinical
Structure Type MOL
InChI Key RDZPPJCRWXTEBQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
1.64
ALogP
6
HBA
1
HBD
73.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N4OS
MW 258.31
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 4.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2096980
IC50 4.61 4.61 24400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-derived growth factor receptor IC50 = 24400.0 nM 4.61 Inhibition against of platelet-derived growth factor receptor (PDGFr) 9784112

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