YOHIMBINE HYDROCHLORIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Salt
UNII: NB2E1YP49F
Parent Compound: YOHIMBINE

Structure
InChI Key PIPZGJSEDRMUAW-VJDCAHTMSA-N
Smile COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21.Cl
InChI
InChI=1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H/t12-,15-,17-,18-,19+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27ClN2O3
Molecular Weight 390.91
AlogP 2.65
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 65.56
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 16
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 27 - 15 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 113

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Phobia, Social 3 D000072861 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Tobacco Use Disorder 1 D014029 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL537669
EPA CompTox DTXSID40891272
FDA SRS NB2E1YP49F
PubChem 6169
SureChEMBL SCHEMBL33955
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