General
Preferred name
JTC-801 free base
Synonyms
JTC 801 ()
JTC-801 ()
JTC801 ()
JTC 801 ()
P&D ID
PD048896
CAS
244218-51-7
244218-93-7
Tags
available
drug candidate
Drug indication
Pain
Drug Status
investigational
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 P2Y12 antagonist (Tocris Bioactive Compound Library)
DESCRIPTION Selective NOP antagonist (Tocriscreen Plus)
DESCRIPTION Selective NOP antagonist (Tocriscreen Total)
DESCRIPTION JTC-801 is a selective opioid receptor-like1 (ORL1) receptor antagonist with IC50 of 94 nM, weakly inhibits receptors δ, κ, and μ. It is an opioid analgesic drug used in scientific research. (BOC Sciences Bioactive Compounds)
Compound Sets
18
AdooQ Bioactive Compound Library
A11076
Axon Medchem Screening Library
1805
BOC Sciences Bioactive Compounds
jtc-801-cas-244218-51-7-item-84-256606
Cayman Chemical Bioactives
21254
Drug Repurposing Hub
DrugBank
DB17033
DrugMAP
DMV3UN4
EUbOPEN Chemogenomics Library
Guide to Pharmacology
1692
MedChem Express Bioactive Compound Library
HY-13274
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
jtc-801
TargetMol Bioactive Compound Library
T6553
Tocris Bioactive Compound Library
2481
Tocriscreen Plus
2481
Tocriscreen Total
ZINC Tool Compounds
ZINC000000602902
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
411.19
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
4
cLogP
5.52
TPSA
77.24
Fraction CSP3
0.15
Chiral centers
0.0
Largest ring
6.0
QED
0.44
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Pathway
Endocrinology/Hormones
GPCR/G protein
Neuroscience
Neuronal Signaling
Target
Opioid receptor-like1 (ORL1)
OPRL1
NOP antagonist
Opioid Receptor
Primary Target
NOP Receptors
MOA
Antagonist
OPRL1 gene inhibitor
OPRM1 gene inhibitor
Opioid Receptor antagonist
Member status
member
Therapeutic Class
Analgesics
Source data