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Compound Detail

CHEMBL341503

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O=C1NC(=O)c2c1c1cc3ccccc3cc1c1[nH]c3ccccc3c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL341503
Phase Preclinical
Structure Type MOL
InChI Key RONAHYSBEQPGHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
4.51
ALogP
2
HBA
2
HBD
62.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H12N2O2
MW 336.35
Aromatic Rings 5
Heavy Atoms 26
NP-Likeness 0.37

Literature References

PubMed DOI Target Context # Activities
14552791 10.1016/s0960-894x(03)00791-1 Cyclin-dependent kinase 4/cyclin D1 1

Data from ChEMBL 36 via Core Engine