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Compound Detail

CHEMBL498585

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O=c1[nH]c2c(c(-c3ccccc3)nn2-c2ccccc2)c2c1CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL498585
Phase Preclinical
Structure Type MOL
InChI Key BPRMJDMDKWHNRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.87
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.61
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 C21H17N3O
MW 327.39
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.04

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