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Compound Detail

CHEMBL363380

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CN1CCN(CC(=O)Nc2ccc3c(c2)-c2nc(O)c4ccccc4c2C3)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363380
Phase Preclinical
Structure Type MOL
InChI Key MWYHWCFBKADNQP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
2.70
ALogP
5
HBA
2
HBD
68.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O2
MW 388.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
16078828 10.1021/jm0502891 Poly [ADP-ribose] polymerase 1 2

Data from ChEMBL 36 via Core Engine