General
Preferred name
DONITRIPTAN
Synonyms
Donitriptan hydrochloride ()
Donitriptan monohydrochloride ()
F-11356 (free base) ()
F-11356 ()
P&D ID
PD050601
CAS
170911-68-9
170912-52-4
Tags
available
drug candidate
Drug indication
Migraine
Drug Status
investigational
Max Phase
Phase 2
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()] ]]
Description
(extracted from source data)
DESCRIPTION
5-HT1B/1D agonist
(Tocriscreen Total)
DESCRIPTION
The hydrochloride salt form of Donitriptan, which is a novel 5-HT derivative with potent, selective, and unique high intrinsic activity at 5-HT1B/1D receptors and could be probably used as an antimigraine agent.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
BOC Sciences Bioactive Compounds
ChEMBL Drugs
Drug Repurposing Hub
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Molecular Weight
403.2
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
3
cLogP
2.27
TPSA
98.38
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HTR1A, HTR1B, HTR1D, HTR1E, HTR1F, HTR2A, HTR5A, HTR6
5-HT Receptor
MOA
serotonin receptor agonist
Pathway
GPCR/G protein
Neuronal Signaling
Source data
