Details of the Drug

General Information of Drug (ID: DM7HNFV)

Drug Name

GSK2982772

Synonyms

LYPAFUINURXJSG-AWEZNQCLSA-N; 1622848-92-3; UNII-T5W3M0VO9B; T5W3M0VO9B; GSK-2982772; (S)-5-benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide; GTPL9554; SCHEMBL15956219; MolPort-044-830-634; s8484; AKOS030528033; compound 5 [PMID: 28151659]; ACN-041458; CS-6899; GSK 2982772; AS-35128; AC-29894; HY-101760; J3.650.802G; 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide; 3-Benzyl-N-[(3s)-5-Methyl-4-Oxo-2,3,4,5-Tetrahydr

Indication

Disease Entry	ICD 11	Status	REF
Plaque psoriasis	EA90.0	Phase 2	[1]
Psoriasis vulgaris	EA90	Phase 1	[2]
Rheumatoid arthritis	FA20	Phase 1	[2]
Ulcerative colitis	DD71	Phase 1	[2]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

377.4

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C20H19N5O3
IUPAC Name: 5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
Canonical SMILES: CN1C2=CC=CC=C2OC[C@@H](C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4
InChI: InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1
InChIKey: LYPAFUINURXJSG-AWEZNQCLSA-N

Cross-matching ID

PubChem CID: 77108121
CAS Number: 1622848-92-3
TTD ID: D0LQ3L

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Receptor-interacting protein 1 (RIPK1)	TTAIQSN	RIPK1_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

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