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Compound Detail

CHEMBL497775

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O=c1[nH]c2c(c(-c3ccccc3)nn2-c2ccccc2)c2c1CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497775
Phase Preclinical
Structure Type MOL
InChI Key JSSDINRJYSMIFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
4.26
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.59
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 C22H19N3O
MW 341.41
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
18713665 10.1016/j.bmcl.2008.07.091 Poly [ADP-ribose] polymerase 1 1

Data from ChEMBL 36 via Core Engine