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Compound Detail

CHEMBL110347

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CC(CC(=O)NCC(=O)c1ccc2ccccc2c1)n1c2c(c(=O)[nH]c1=O)CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL110347
Phase Preclinical
Structure Type MOL
InChI Key XYMUWEHPUPEGET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
2.52
ALogP
5
HBA
2
HBD
101.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N3O4
MW 419.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
12372530 10.1016/s0960-894x(02)00602-9 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine