Details of the Drug

General Information of Drug (ID: DM25YLM)

Drug Name
GSK2981278
Synonyms
ROR gama modulator 1; 1474110-21-8; UNII-L49V5G013I; L49V5G013I; N-(4-ethylphenyl)-3-(hydroxymethyl)-N-isobutyl-4-((tetrahydro-2H-pyran-4-yl)methoxy)benzenesulfonamide; GTPL9661; SCHEMBL15352875; LZLBRISQTJVZNP-UHFFFAOYSA-N; MolPort-044-561-790; EX-A1179; ZINC142250256; AKOS030526564; CS-5449; GSK-2981278; HY-19770; N-(4-ethylphenyl)-3-(hydroxymethyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide; Benzenesulfonamide, N-(4-ethylphenyl)-3-(hydroxymethyl)-N-(2-methylpropyl)-4-((tetrahydro-2H-pyran-4-yl)
Indication
Disease Entry ICD 11 Status REF
Plaque psoriasis EA90.0 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 461.6
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C25H35NO5S
IUPAC Name
N-(4-ethylphenyl)-3-(hydroxymethyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide
Canonical SMILES
CCC1=CC=C(C=C1)N(CC(C)C)S(=O)(=O)C2=CC(=C(C=C2)OCC3CCOCC3)CO
InChI
InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3
InChIKey
LZLBRISQTJVZNP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
89875987
CAS Number
1474110-21-8
UNII
L49V5G013I
DrugBank ID
DB16319
TTD ID
D0BF4Z
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
Nuclear receptor ROR-gamma (RORG) TTGV6LY RORG_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)