General
Preferred name
NNC 63-0532
Synonyms
P&D ID
PD021799
CAS
250685-44-0
Tags
available
biased GPCR ligand
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 Potent non-peptide NOP agonist; brain penetrant (Tocriscreen Plus)
DESCRIPTION Serine protease inhibitor; inhibits thrombin, trypsin, kallikrein and plasmin (Tocris Bioactive Compound Library)
DESCRIPTION Potent non-peptide NOP agonist; brain penetrant (Tocriscreen Total)
Compound Sets
5
Novartis Chemogenetic Library (NIBR MoA Box)
Tocris Bioactive Compound Library
Tocriscreen Plus
Tocriscreen Total
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
443.22
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
5
Aromatic Ring Count
3
cLogP
3.65
TPSA
53.09
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
6.0
QED
0.56
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
Primary Target
NOP Receptors
MOA
Agonist
OPRL1 agonist
Member status
virtual
Source data