General
Preferred name
rauwolscine
Synonyms
RAUWOLSCINE HYDROCHLORIDE ()
¦Á-Yohimbine hydrochloride ()
Corynanthidine hydrochloride ()
Isoyohimbine hydrochloride ()
??-Yohimbine hydrochloride ()
Isoyohimbine hydrochloride, α-Yohimbine hydrochloride, corynanthidine hydrochloride ()
Isoyohimbine hydrochloride, ??-Yohimbine hydrochloride, corynanthidine hydrochloride ()
α-Yohimbine ()
Corynanthidine ()
Isoyohimbine ()
[3H]rauwolscine ()
[3H]rauwolscine ()
Isoyohimbine hydrochloride, ¦Á-Yohimbine hydrochloride, corynanthidine hydrochloride ()
Rauwolscine (hydrochloride) ()
Rauwolscine HCl ()
P&D ID
PD050456
CAS
6211-32-1
131-03-3
112350-93-3
Tags
natural product
drug candidate
available
Drug indication
Discovery agent
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 Please note that the structure shown here does not specify the position of the tritiated hydrogen atoms. (GtoPdb)
DESCRIPTION alpha2 Adrenoceptor antagonist (LOPAC library)
Cell lines
0
Organisms
1
Compound Sets
12
Cayman Chemical Bioactives
15596
Drug Repurposing Hub
DrugMAP
DMBQZ2H
EU-OPENSCREEN Bioactive Compound Library
EOS101351
EUbOPEN Chemogenomics Library
Guide to Pharmacology
136
223
LOPAC library
Mcule NIBR MoA Box Subset
MCULE-1354974676
MedChem Express Bioactive Compound Library
HY-12710
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
rauwolscine-hydrochloride
TargetMol Bioactive Compound Library
T4429
External IDs
38
Properties
(calculated by RDKit )
Molecular Weight
354.19
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
5
Aromatic Ring Count
2
cLogP
2.65
TPSA
65.56
Fraction CSP3
0.57
Chiral centers
5.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
alpha2
Pathway
GPCR/G protein
Neuroscience
Neuronal Signaling
Target
??2 adrenergic receptor
¦Á2 adrenergic receptor
ADRA2A, ADRA2B, ADRA2C, HTR1B, HTR1D, HTR1E, HTR2B
MOA
Adrenergic Receptor
alpha-Adrenoceptor Antagonists
Adrenergic Receptor antagonist
Member status
member
Recommended Cell Concentration
None
Source data