General
Preferred name
DEMEXIPTILINE
Synonyms
DEMEXIPTILINE HYDROCHLORIDE ()
P&D ID
PD009415
CAS
24701-51-7
Tags
available
drug
Drug Status
experimental
approved
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 ]]
Compound Sets
6
ChEMBL Drugs
DrugBank
DrugCentral
DrugCentral Approved Drugs
DrugMatrix
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
278.14
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
3.04
TPSA
33.62
Fraction CSP3
0.17
Chiral centers
0.0
Largest ring
7.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
