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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
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
Specialist databases
GPCRdb Ligand cebranopadol
Other databases
CAS Registry No. 863513-91-1 (source: PubChem)
ChEMBL Ligand CHEMBL2364605
GtoPdb PubChem SID 252827523
PubChem CID 11848225
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UniChem Compound Search for chemical match using the InChIKey CSMVOZKEWSOFER-UHFFFAOYSA-N
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Wikipedia Cebranopadol