General
Preferred name
ML139
Synonyms
N-{1-[(cyclohexylamino)carbonyl]cyclohexyl}-N-(2-thienylmethyl)-2-pyridinecarboxamide ()
P&D ID
PD015995
Tags
available
probe
Probe info
Probe selectivity
protein-selective
Probe type
experimental probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
8
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
The specific aims of this project are to identify subtype specific small molecule agonists of the human kappa opioid (KOP) receptor. Such agonists have been shown to block cocaine self-administration. Subtype selectivity is defined as selective for KOR but not active against mu (MOR) or delta (DOR) subtypes.
(MLP Probes)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
11
Molecular Weight
425.21
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
2
cLogP
4.94
TPSA
62.3
Fraction CSP3
0.54
Chiral centers
0.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Classification
Probe
Antitarget
MOR, DOR
Target
KOR
Source data
