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Compound Detail

CHEMBL485304

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COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@@H]1CCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL485304
Phase Preclinical
Structure Type MOL
InChI Key MKIWPZCSVGPVQY-KRWDZBQOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.9
MW (Da)
3.88
ALogP
7
HBA
3
HBD
97.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClFN5O3
MW 459.91
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Proto-oncogene tyrosine-protein kinase Src IC50 = 300.0 nM 6.52 Inhibition of Src kinase 19321350

Literature References

PubMed DOI Target Context # Activities
19321350 10.1016/j.bmc.2009.02.054 Proto-oncogene tyrosine-protein kinase Src 2

Data from ChEMBL 36 via Core Engine