General
Preferred name
SPIROXATRINE
Synonyms
SPIROXATRINE,(+) ()
SPIROXATRINE,(-) ()
R 5188 ()
ESPIROXATRINA ()
R-5188 ()
NSC-665322 ()
P&D ID
PD002604
CAS
1054-88-2
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
investigational
Max Phase
2.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 104
DESCRIPTION Spiroxatrine (R 5188) is a selective and potent 5-HT1?? and ??2-adrenergic dual antagonist with sedative activity, and inhibitory effects on 5-HT1??, 5-HT1??, 5-HT2, and dopamine receptors. Spiroxatrine may be used in the study of disorders related to the cardiovascular system.
DESCRIPTION Partial 5-HT1A serotonin receptor agonist (LOPAC library)
DESCRIPTION Spiroxatrine is a 5-HT1A antagonist and a potent α2C adrenergic receptor antagonist. Spiroxatrine exhibits great anxiolytic effects in combination with buspirone. (BOC Sciences Bioactive Compounds)
DESCRIPTION Potent α2C antagonist (Tocriscreen Total)
DESCRIPTION Spiroxatrine (R 5188) is a selective and potent 5-HT1α and α2-adrenergic dual antagonist with sedative activity, and inhibitory effects on 5-HT1α, 5-HT1β, 5-HT2, and dopamine receptors. Spiroxatrine may be used in the study of disorders related to the cardiovascular system. (TargetMol Bioactive Compound Library)
DESCRIPTION beta agonist (beta2 > beta1) (Tocris Bioactive Compound Library)
Cell lines
0
Organisms
2
Compound Sets
19
BOC Sciences Bioactive Compounds
spiroxatrine-cas-1054-88-2-item-408523
Cayman Chemical Bioactives
33415
ChEMBL Drugs
CHEMBL300555
Concise Guide to Pharmacology 2017/18
53
Concise Guide to Pharmacology 2019/20
53
Concise Guide to Pharmacology 2021/22
53
Concise Guide to Pharmacology 2023/24
53
DrugMAP
DMPHRXQ
DrugMatrix
EUbOPEN Chemogenomics Library
EUB0000388
Guide to Pharmacology
53
JUMP-Target 1 Compound Set
5268
Ki Database
SPIROXATRINE,(-)
SPIROXATRINE,(+)
SPIROXATRINE
LOPAC library
MedChem Express Bioactive Compound Library
HY-12706
NPC Screening Collection
TargetMol Bioactive Compound Library
T23382
Tocris Bioactive Compound Library
0631
Tocriscreen Total
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
379.19
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
5
Aromatic Ring Count
2
cLogP
2.25
TPSA
54.04
Fraction CSP3
0.41
Chiral centers
1.0
Largest ring
6.0
QED
0.89
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
5-HT1A
Target
α2 adrenergic receptor
5-HT1B
Dopamine Receptor
ADRA2B
5-HT Receptor
Adrenergic Receptor
Primary Target
Adrenergic ?2 Receptors
MOA
Antagonist
Pathway
GPCR/G protein
Neuroscience
Neuronal Signaling
Recommended Cell Concentration
None
Source data