General
Preferred name
S-Isopropyl-Isothiourea
Synonyms
S-Isopropylisothiourea hydrobromide ()
S-Isopropylisothiourea (hydrobromide) ()
S-isopropyl ITU ()
IPTU ()
S-isopropyl Isothiourea (hydrobromide) ()
P&D ID
PD006554
CAS
6913-17-3
4269-97-0
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION S-Isopropylisothiourea (IPTU) hydrobromide is a potent and selective inhibitor of Nitric Oxide Synthase (NOS). S-Isopropylisothiourea (IPTU) hydrobromide is used in the research for hemorrhagic shock[1][2].
DESCRIPTION iNOS inhibitor, acts arginine binding site (Tocriscreen Total)
Compound Sets
8
Cayman Chemical Bioactives
81290
Drug Repurposing Hub
DrugBank
DB04018
DrugMAP
DMZ30AM
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
EOS102448
MedChem Express Bioactive Compound Library
HY-101304
Tocriscreen Total
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
118.06
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
0
Aromatic Ring Count
0
cLogP
1.02
TPSA
49.87
Fraction CSP3
0.75
Chiral centers
0.0
Largest ring
0.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
NOS3
NO Synthase
MOA
nitric oxide synthase inhibitor
Pathway
Immunology/Inflammation
Source data