General
Preferred name
SUMANIROLE
Synonyms
Sumanirole maleate ()
Sumanirole (maleate) ()
U-95666E ()
PNU-95666 ()
PNU-95666E ()
P&D ID
PD047730
CAS
179386-44-8
179386-43-7
Tags
available
drug candidate
Drug indication
Parkinson disease
Drug Status
investigational
Max Phase
Phase 3
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 5-HT2A antagonist; also 5-HT uptake inhibitor; antidepressant (Tocris Bioactive Compound Library)
Compound Sets
13
Cayman Chemical Bioactives
11984
ChEMBL Drugs
CHEMBL419792
Concise Guide to Pharmacology 2017/18
3949
Concise Guide to Pharmacology 2019/20
3949
Concise Guide to Pharmacology 2021/22
3949
Concise Guide to Pharmacology 2023/24
3949
Drug Repurposing Hub
DrugBank
DB06477
DrugMAP
DMYHV17
Guide to Pharmacology
3949
MedChem Express Bioactive Compound Library
HY-70081A
ReFrame library
Tocris Bioactive Compound Library
2773
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
203.11
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
0.47
TPSA
49.82
Fraction CSP3
0.36
Chiral centers
1.0
Largest ring
6.0
QED
0.71
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
D2 Receptors
MOA
Agonist
Dopamine Receptor agonist
Target
DRD2
Dopamine Receptor
Pathway
GPCR/G protein
Neuronal Signaling
Source data