Details of the Drug

General Information of Drug (ID: DMQOM5V)

Drug Name
GSK2646264
Synonyms CQLSAYKHANAIMX-UHFFFAOYSA-N; GTPL10108; compound 44 [PMID: 30249354]; 7-{2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl}-2,3,4,5,5a,9a-hexahydro-1H-3-benzazepine
Indication
Disease Entry ICD 11 Status REF
Cutaneous lupus erythematosus EB5Z Phase 1 [1]
Urticaria EB00-EB05 Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 374.5
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C24H26N2O2
IUPAC Name
7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
Canonical SMILES
CC1=CC(=NC=C1)COC2=CC=CC(=C2C3=CC4=C(CCNCC4)C=C3)OC
InChI
InChI=1S/C24H26N2O2/c1-17-8-13-26-21(14-17)16-28-23-5-3-4-22(27-2)24(23)20-7-6-18-9-11-25-12-10-19(18)15-20/h3-8,13-15,25H,9-12,16H2,1-2H3
InChIKey
KYANYGKXMNYFBX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
60194098
CAS Number
1398695-47-0
TTD ID
D0H2HZ
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Tyrosine-protein kinase SYK (SYK) TTOU65C KSYK_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cutaneous lupus erythematosus
ICD Disease Classification EB5Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Tyrosine-protein kinase SYK (SYK) DTT SYK 5.20E-02 -0.57 -0.67
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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