Navigation

name Structure Reference Source Properties Activities Metabolism

Ibogaine

AlkaPlorer ID: AK016818

Synonym: '', 'Ibogaine'

IUPAC Name: (1R,15S,17S,18S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene

Structure

SMILES: CC[C@H]1C[C@H]2C[C@H]3C4=C(CCN(C2)[C@@H]13)C1=CC(OC)=CC=C1N4

copy

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

copy

InChIKey: HSIBGVUMFOSJPD-NXWOVTFFSA-N

copy

Reference

None

PubChem CID: 442108

LOTUS: LTS0186031

NPASS: NPC329793

Source

Species Genus Family Order Class Phylum Kingdom Domain
Tabernaemontana bovina Tabernaemontana Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 310.441

TPSA？: 28.26

MolLogP？: 3.936600000000003

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cavia porcellus Sigma-1 receptor Ki 250.0 nM 10.1021/jm0611197
Homo sapiens A2780 IC50 10.2 ug.mL-1 10.1021/np020548e
Homo sapiens Serotonin transporter Kinact 2.26 nM 10.1074/jbc.m704456200
Homo sapiens Sigma opioid receptor Ki 8554.0 nM 10.1021/jm301545c
Homo sapiens Whole blood Retention_time 4.94 min 10.1007/s00044-012-9977-1
Rattus norvegicus Dopamine D1 receptor IC50 10000.0 nM 10.1021/jm980156y
Rattus norvegicus Dopamine D2 receptor IC50 10000.0 nM 10.1021/jm980156y
Rattus norvegicus Dopamine D3 receptor IC50 10000.0 nM 10.1021/jm980156y
Rattus norvegicus Dopamine transporter IC50 4110.0 nM 10.1021/jm980156y
Rattus norvegicus Glutamate NMDA receptor IC50 5200.0 nM 10.1021/jm980156y
Rattus norvegicus Kappa opioid receptor IC50 25000.0 nM 10.1021/jm980156y
Rattus norvegicus Mu opioid receptor IC50 3760.0 nM 10.1021/jm980156y
Rattus norvegicus Serotonin transporter Activity nan None 10.1074/jbc.m704456200
Rattus norvegicus Serotonin transporter IC50 590.0 nM 10.1021/jm980156y
Rattus norvegicus Serotonin transporter IC50 2500.0 nM 10.1074/jbc.m704456200
Rattus norvegicus Serotonin transporter IC50 6300.0 nM 10.1074/jbc.m704456200
Rattus norvegicus Serotonin transporter Km 170.0 nM 10.1074/jbc.m704456200
Rattus norvegicus Serotonin transporter Vmax 14.0 pmol/min/mg 10.1074/jbc.m704456200
Rattus norvegicus Sigma opioid receptor Activity nan None 10.1021/jm0611197
None Astrocyte Activity 5.82 nmol 10.1021/jm100116p
None Astrocyte Activity 7.95 nmol 10.1021/jm100116p
None Molecular identity unknown Activity nan None 10.1021/jm100116p
None Unchecked Activity 0.98 uM 10.1074/jbc.m704456200
None Unchecked Activity nan None 10.1021/jm0611197
None Unchecked Activity nan None 10.1074/jbc.m704456200
None Unchecked Ki 201.0 nM 10.1021/jm301545c
None Unchecked Ki 9310.0 nM 10.1021/jm0611197
None Unchecked Ratio 95.0 % 10.1021/jm0611197
None Unchecked Ratio Ki 43.0 None 10.1021/jm301545c

Metabolism Information