YOHIMBINE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII NB2E1YP49F
EPA CompTox DTXSID40891272
Parent Compound: YOHIMBINE

Structure

InChI Key PIPZGJSEDRMUAW-VJDCAHTMSA-N
Smiles COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O.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
- - - - -2.5-16.16
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 3.67-27.1 - 1.8-15 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 81.24-113.34
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 81.24-113.34
Electrophorus electricus
- - - - 16.16
Equus caballus
- - - -
Homo sapiens
- 3.67-27.1 - - -

Cross References

Resources Reference
ChEMBL CHEMBL537669
FDA SRS NB2E1YP49F
PubChem 6169
SureChEMBL SCHEMBL33955
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