IBOGAINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 3S814I130U

Structure

InChI Key HSIBGVUMFOSJPD-NXWOVTFFSA-N
Smiles CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13
InChI
InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26N2O
Molecular Weight 310.44
AlogP 3.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 28.26
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other membrane protein
- - - 250 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 590 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - 250 -
Homo sapiens
- - - 201 -

Cross References

Resources Reference
ChEMBL CHEMBL222287
FDA SRS 3S814I130U
KEGG C09214
PubChem 197060
SureChEMBL SCHEMBL21333266
CONTENTS