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Compound Detail

CHEMBL330746

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O=C1c2ccccc2C(=O)N1CCNc1nc(Cl)nc2nc[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330746
Phase Preclinical
Structure Type MOL
InChI Key YCPCHENYFYUHDZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.8
MW (Da)
1.71
ALogP
6
HBA
2
HBD
103.9
PSA (Ų)
0.55
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 C15H11ClN6O2
MW 342.75
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10076-2 Cyclin-dependent kinase 2/cyclin E 1

Data from ChEMBL 36 via Core Engine