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Compound Detail

CHEMBL179219

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Cc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL179219
Phase Preclinical
Structure Type MOL
InChI Key OJTSQWGMSXHCRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
4.66
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.55
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 C18H13NO2
MW 275.31
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
15664865 10.1016/j.bmcl.2004.10.091 Cyclin-dependent kinase 1/cyclin B1 1
15664865 10.1016/j.bmcl.2004.10.091 Cyclin-dependent kinase 5/CDK5 activator 1 1
15664865 10.1016/j.bmcl.2004.10.091 Cyclin-dependent kinase 2/cyclin E1 1
15664865 10.1016/j.bmcl.2004.10.091 Cyclin-dependent kinase 4/cyclin D1 1

Data from ChEMBL 36 via Core Engine