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Compound Detail

CHEMBL326451

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O=C(CCn1c2c(c(=O)[nH]c1=O)C/C=C\C=C/CC2)NCC(=O)N1CCN(c2ncccn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL326451
Phase Preclinical
Structure Type MOL
InChI Key FQHWUSKEUCAPCT-CCAGOZQPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

479.5
MW (Da)
-0.22
ALogP
8
HBA
2
HBD
133.3
PSA (Ų)
0.59
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 C24H29N7O4
MW 479.54
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.23

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