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Compound Detail

CHEMBL185867

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N=C1SCC2CCCCN12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185867
Phase Preclinical
Structure Type MOL
InChI Key SNACQVKQOYWYPP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

156.2
MW (Da)
1.52
ALogP
2
HBA
1
HBD
27.1
PSA (Ų)
0.58
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 C7H12N2S
MW 156.25
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness -0.17

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