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Compound Detail

CHEMBL180673

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COc1cccc(OC)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL180673
Phase Preclinical
Structure Type MOL
InChI Key JRPLMLPNEXPGSO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.76
ALogP
7
HBA
1
HBD
78.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N4O3
MW 388.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.59

Activity Summary

IC50 1 meas. best 6.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.01 6.01 980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 980.0 nM 6.01 Inhibition of c-Src tyrosine kinase 15780636

Literature References

PubMed DOI Target Context # Activities
15780636 10.1016/j.bmcl.2005.01.079 Wee1-like protein kinase 1
15780636 10.1016/j.bmcl.2005.01.079 Unchecked 1

Data from ChEMBL 36 via Core Engine