General
Preferred name
compound 2e [PMID: 19013076]
Synonyms
Vinyl-L-NIO hydrochloride ()
Vinyl-L-NIO (hydrochloride) ()
P&D ID
PD051448
CAS
728944-69-2
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Compound 2a is an inhibitor of human dimethylarginine dimethylaminohydrolase 1 (DDAH1), reported in . However, a lack of selectivity of 2a over NOSs activity, limits its clinical utility. Compound 3a (PubChem CID 11413609) is identified as the most useful human DDAH1 inhibitor in this series as it exhibits little inhibition of NOS enzyme activity.
(GtoPdb)
DESCRIPTION
Vinyl-L-NIO is a potent and selective nNOS inhibitor with preference for NOS1 (nNOS) over NOS2 (iNOS) and NOS3 (eNOS) with Ki values of 100 nM, 60 and 12 μM, respectively.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
7
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Guide to Pharmacology
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Molecular Weight
199.13
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
0
Aromatic Ring Count
0
cLogP
0.11
TPSA
101.7
Fraction CSP3
0.56
Chiral centers
1.0
Largest ring
0.0
QED
0.23
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
