General
Preferred name
ADIPHENINE
Synonyms
ADIPHENINE HYDROCHLORIDE ()
Adiphenine HCl ()
Patrovina ()
Sentiv ()
Spasnil ()
Adiphenine (hydrochloride) ()
NSC 129224 ()
NSC-129224 ()
Trasentine ()
P&D ID
PD013363
CAS
50-42-0
64-95-9
Tags
drug candidate
natural product
drug
available
Drug Status
approved
withdrawn
Drug indication
Relaxant (smooth muscle)
Probe control
Probe control not defined
Orthogonal probes
0
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
2
Compound Sets
16
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
MedChem Express Bioactive Compound Library
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
42
Properties
(calculated by RDKit )
Molecular Weight
311.19
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
8
Ring Count
2
Aromatic Ring Count
2
cLogP
3.7
TPSA
29.54
Fraction CSP3
0.35
Chiral centers
0.0
Largest ring
6.0
QED
0.7
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
Membrane Transporter/Ion Channel
Neuronal Signaling
Target
Nicotinic Receptor
CHRNA1
nAChR
AChR
Indication
spasms
MOA
acetylcholine receptor antagonist
Source data
