General
Preferred name
PYRROLIDINE DITHIOCARBAMATE
Synonyms
Ammonium pyrrolidinedithiocarbamate ()
Pyrrolidinedithiocarbamate ammonium ()
1-Pyrrolidinedithiocarboxylic acid ammonium salt ()
APDC ()
PDTC ()
Pyrrolidinedithiocarbamate ()
pyrrolidine-dithiocarbamate ()
PDTC Ammonium salt ()
Pyrrolidinedithiocarbamate (ammonium) ()
ELIVIR ()
PDTC (ammonium) ()
APDC, PDTC, Pyrrolidine dithiocarbamic acid ammonium salt ()
Ammonium 1-Pyrrolidine Dithiocarbamate ()
PYRROLIDINE DITHIOCARBAMIC ACID, AMMONIUM SALT ()
Pyrrolidine-1-Carbodithioic Acid ()
Pyrrolidinedithiocarbamic Acid (ammonium salt) ()
P&D ID
PD071381
CAS
5108-96-3
149765-68-4
25769-03-3
Tags
drug candidate
natural product
available
Drug indication
Discovery agent
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 Water-soluble NO donor (Tocris Bioactive Compound Library)
DESCRIPTION Prevents induction of nitric oxide synthase (NOS) by inhibiting translation of NOS mRNA (LOPAC library)
DESCRIPTION Inhibits NF-κB, prevents increase in NOS mRNA (Tocriscreen Total)
Cell lines
4
Organisms
1
Compound Sets
14
AdooQ Bioactive Compound Library
A16306
Cayman Chemical Bioactives
20713
Drug Repurposing Hub
DrugMAP
DM5ZAS6
DrugMatrix
Enamine BioReference Compounds
JUMP-Target 1 Compound Set
65351
LOPAC library
MedChem Express Bioactive Compound Library
HY-18738
ReFrame library
Selleckchem Bioactive Compound Library
pyrrolidinedithiocarbamate-ammoniumammonium
TargetMol Bioactive Compound Library
T3147
Tocris Bioactive Compound Library
0727
Tocriscreen Total
External IDs
36
Properties
(calculated by RDKit )
Molecular Weight
147.02
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
1.3
TPSA
3.24
Fraction CSP3
0.8
Chiral centers
0.0
Largest ring
5.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
NOS
Pathway
NF-¦ÊB
NF-??b
NF-??
NF-κB
Target
NF-??B
HSD11B1, RELA
HSD11B1
Primary Target
NF-?B and I?B
MOA
Inhibitor
NFkB pathway inhibitor
Source data