cebranopadol   Click here for help

GtoPdb Ligand ID: 8866

Synonyms: GRT 6005 | GRT-6005 | GRT6005
Compound class: Synthetic organic
Comment: This compound is a novel benzenoid opioid analgesic [2-3,5], being assessed in clinical trials for various acute and chronic pain conditions. The compound is non-selective, acting at more than one member of the opioid receptor family [1,4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 28.26
Molecular weight 378.21
XLogP 4.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1
Isomeric SMILES Fc1ccc2c(c1)c1CCOC3(c1[nH]2)CCC(CC3)(N(C)C)c1ccccc1
InChI InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3
InChI Key CSMVOZKEWSOFER-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
International Nonproprietary Names Click here for help
INN number INN
9631 cebranopadol
Synonyms Click here for help
GRT 6005 | GRT-6005 | GRT6005
Database Links Click here for help
CAS Registry No. 863513-91-1 (source: PubChem)
ChEMBL Ligand CHEMBL2364605
GtoPdb PubChem SID 252827523
PubChem CID 11848225
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Wikipedia Cebranopadol