Details of the Drug

General Information of Drug (ID: DMHN3PG)

Drug Name
GRT-6005
Synonyms
Cebranopadol; 863513-91-1; GRT6005; UNII-7GDW9S3GN3; GRT 6005; 7GDW9S3GN3; Cebranopadol [USAN:INN]; Cebranopadol (USAN/INN); Cebranopadol(GRT-6005); SCHEMBL566256; SCHEMBL154336; GTPL8866; CHEMBL3545616; CHEMBL2364605; SCHEMBL10035739; CHEMBL3962932; SCHEMBL19336241; SCHEMBL14183935; MolPort-039-063-422; BDBM177926; ZINC3950145; EX-A1095; BCP09612; BDBM50101095; BDBM50101112; AKOS032953927; AKOS025402576; AKOS025290738; DB12830; CS-1323; SB16531; NCGC00378895-01; AK170452; HY-15536; AS-35183; Centrally-acting nociceptin agonist analgesic (oral liquid, pain/diabetic neuropathy), Grunenthal; GRT 6005/06
Indication
Disease Entry ICD 11 Status REF
Diabetic neuropathy 8C0Z Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 378.5
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C24H27FN2O
IUPAC Name
6-fluoro-N,N-dimethyl-1'-phenylspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-cyclohexane]-1'-amine
Canonical SMILES
CN(C)C1(CCC2(CC1)C3=C(CCO2)C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5
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
InChIKey
CSMVOZKEWSOFER-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11848225
ChEBI ID
CHEMBL3962932
CAS Number
863513-91-1
UNII
7GDW9S3GN3
DrugBank ID
DB12830
TTD ID
D03TBJ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Opioid receptor mu (MOP) TTKWM86 OPRM_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Diabetic neuropathy
ICD Disease Classification 8C0Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Opioid receptor mu (MOP) DTT OPRM1 5.94E-01 -0.02 -0.17
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Cebranopadol: a first in-class example of a nociceptin/orphanin FQ receptor and opioid receptor agonist. Br J Anaesth. 2015 Mar;114(3):364-6.