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Compound Detail

CHEMBL497382

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Cc1nn(C)c2[nH]c3c(c(=O)c12)CCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497382
Phase Preclinical
Structure Type MOL
InChI Key BRGVVESKICPCPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
1.45
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O
MW 217.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.94

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