General
Preferred name
Roluperidone
Synonyms
MIN-101 ()
CYR-101 ()
MT-210 ()
Roluperidone hydrochloride ()
Roluperidona ()
FMI ()
MIN-101 FREE BASE ()
CYR-101 HYDROCHLORIDE DIHYDRATE ()
P&D ID
PD058259
CAS
359625-79-9
Tags
available
drug candidate
Drug indication
Schizophrenia
Drug Status
investigational
Max Phase
1.0
3.0
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
Roluperidone (MIN-101; Minerva Neurosciences) has antagonist actions at 5-HT2A receptors, α1A- and α1B-adrenoceptors, and the sigma2 receptor (σ2). A crystal structure of roluperidone bound to the bovine σ2 has been reported .
(GtoPdb)
PRICE
74
DESCRIPTION
Roluperidone (CYR-101), a novel cyclic amide derivative, exhibits high equipotent affinities for 5-HT2A and ??2 receptors with Ki values of 7.53 nM and 8.19 nM, respectively.
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugMAP
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Molecular Weight
366.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
2
cLogP
3.38
TPSA
40.62
Fraction CSP3
0.36
Chiral centers
0.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
5-HT Receptor
Sigma Receptor
Pathway
GPCR/G protein
Neuronal Signaling
Source data
