IBOGAINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3S814I130U

Structure
InChI Key HSIBGVUMFOSJPD-NXWOVTFFSA-N
Smile 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(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 5200 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 25000 - - -
Membrane receptor
- 25000 - 8554 -
Other membrane protein
- - - 250 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 590-6300 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alcoholism 2 D000437 ClinicalTrials
Opioid-Related Disorders 2 D009293 ClinicalTrials

Related Entries

Scaffolds

Cross References

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