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Compound Detail

CHEMBL183268

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NC1=NC(c2ccccc2)CS1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL183268
Phase Preclinical
Structure Type MOL
InChI Key VMXKVUZBDSURAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

178.3
MW (Da)
1.79
ALogP
3
HBA
1
HBD
38.4
PSA (Ų)
0.71
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 C9H10N2S
MW 178.26
Aromatic Rings 1
Heavy Atoms 12

Literature References

PubMed DOI Target Context # Activities
15357988 10.1016/j.bmcl.2004.06.033 Nitric oxide synthase, inducible 1
15357988 10.1016/j.bmcl.2004.06.033 Nitric oxide synthase 3 1
15357988 10.1016/j.bmcl.2004.06.033 Nitric oxide synthase (inducible and endothelial) 1
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

Data from ChEMBL 36 via Core Engine