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]
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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