General
Preferred name
GNTI
Synonyms
Guanidinyl-naltrindole di-trifluoroacetate ()
GNTI dihydrochloride ()
5'-Guanidinonaltrindole (hydrochloride) ()
5'-GNTI (hydrochloride) ()
5'-guanidinonaltrindole ()
5`-Guanidinonaltrindole ()
5'-Guanidinylnaltrindole ()
C5'-Guanidinyl Naltrindole ()
GUANIDINONALTRINDOLE ()
GNTI (hydrochloride) ()
P&D ID
PD049290
CAS
219655-56-8
351183-88-5
Tags
available
drug candidate
Drug indication
Obesity
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 Selective kappa opioid receptor antagonist (LOPAC library)
Compound Sets
11
Axon Medchem Screening Library
1226
Cayman Chemical Bioactives
31597
Concise Guide to Pharmacology 2017/18
1669
Concise Guide to Pharmacology 2019/20
1669
Concise Guide to Pharmacology 2021/22
1669
Concise Guide to Pharmacology 2023/24
1669
Drug Repurposing Hub
DrugMAP
DMTJRLU
Guide to Pharmacology
1669
LOPAC library
MedChem Express Bioactive Compound Library
HY-107748
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
471.23
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
5
Rotatable Bonds
3
Ring Count
8
Aromatic Ring Count
3
cLogP
2.48
TPSA
133.12
Fraction CSP3
0.44
Chiral centers
4.0
Largest ring
6.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
kappa
Target
OPRK1, OPRM1
Kappa-opioid antagonist
Opioid Receptor
MOA
Opioid Receptor antagonist
Pathway
GPCR/G protein
Neuronal Signaling
Source data