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Compound Detail

CHEMBL309343

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COc1cccc2[nH]c3c4ccc5ccn(C)c5c4c4c(c3c12)C(=O)NC4=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL309343
Phase Preclinical
Structure Type MOL
InChI Key HPDJRLYLFMFOQF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
3.86
ALogP
4
HBA
2
HBD
76.1
PSA (Ų)
0.44
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 C22H15N3O3
MW 369.38
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness 0.36

Literature References

PubMed DOI Target Context # Activities
12824014 10.1016/s0960-894x(03)00461-x Cyclin-dependent kinase 4/cyclin D1 2
12824014 10.1016/s0960-894x(03)00461-x Cyclin-dependent kinase 2/cyclin E 1
12824014 10.1016/s0960-894x(03)00461-x cAMP-dependent protein kinase (PKA) 1
12824014 10.1016/s0960-894x(03)00461-x HCT-116 1
12824014 10.1016/s0960-894x(03)00461-x NCI-H460 1

Data from ChEMBL 36 via Core Engine