General
Preferred name
DEPTROPINE
Synonyms
Deptropine citrate ()
Dibenzheptropine ()
NSC-169431 ()
Deptropine dihydrogen citrate ()
Dibenzheptropine citrate ()
Brontine ()
BS-6987 ()
BS 6987 ()
P&D ID
PD072962
CAS
604-51-3
2169-75-7
Tags
drug candidate
natural product
drug
available
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
Drug Repurposing Hub
DrugBank
DrugCentral
DrugCentral Approved Drugs
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
333.21
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
2
cLogP
4.52
TPSA
12.47
Fraction CSP3
0.48
Chiral centers
3.0
Largest ring
7.0
QED
0.8
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HRH1
MOA
Histamine Receptor antagonist
Source data
