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Compound Detail

CHEMBL185634

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O=Cc1cccc(-c2cc3cccc4c3n2CCNC4=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185634
Phase Preclinical
Structure Type MOL
InChI Key RVZZPKDNSFQVDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
2.86
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N2O2
MW 290.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
15481984 10.1021/jm030513r Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine