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Compound Detail

CHEMBL15739

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COc1ccc2[nH]ncc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL15739
Phase Preclinical
Structure Type MOL
InChI Key GZWWDKIVVTXLFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

148.2
MW (Da)
1.57
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H8N2O
MW 148.16
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
11354365 10.1016/s0960-894x(01)00156-1 Nitric oxide synthase 1 2

Data from ChEMBL 36 via Core Engine