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Compound Detail

CHEMBL247427

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COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(-c4ccc(N)cc4)cc3)c1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247427
Phase Preclinical
Structure Type MOL
InChI Key AYPPNIJDOCBYTF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
4.91
ALogP
4
HBA
2
HBD
73.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O2
MW 383.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.22

Activity Summary

IC50 1 meas. best 6.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Chk1
CHEMBL4630
 IC50 6.45 6.45 355.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase Chk1 IC50 = 355.0 nM 6.45 Inhibition of Chk1 17827013

Literature References

PubMed DOI Target Context # Activities
17827013 10.1016/j.bmcl.2007.07.102 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine