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Compound Detail

CHEMBL192665

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O=C(Nc1cc(C2CC2)[nH]n1)C(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL192665
Phase Preclinical
Structure Type MOL
InChI Key YSOORXRSGKEOOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
4.06
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.75
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 C20H19N3O
MW 317.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
15828833 10.1021/jm0408870 Cyclin-dependent kinase 2/cyclin A 1

Data from ChEMBL 36 via Core Engine