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Compound Detail

CHEMBL364781

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NC1=NCC(c2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL364781
Phase Preclinical
Structure Type MOL
InChI Key YFYOQDRJFPFZEO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

160.2
MW (Da)
1.53
ALogP
2
HBA
1
HBD
38.4
PSA (Ų)
0.66
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 C10H12N2
MW 160.22
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.04

Literature References

PubMed DOI Target Context # Activities
15357988 10.1016/j.bmcl.2004.06.033 Nitric oxide synthase 3 2
15357988 10.1016/j.bmcl.2004.06.033 Nitric oxide synthase 1 1
15357988 10.1016/j.bmcl.2004.06.033 Nitric oxide sythases; iNOS & nNOS 1
15357988 10.1016/j.bmcl.2004.06.033 Nitric oxide synthase, inducible 1

Data from ChEMBL 36 via Core Engine