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
Topological Polar Surface Area (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

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)
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2230).
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Company report (Portola Pharmaceuticals)
5 J Clin Oncol 32:5s, 2014 (suppl; abstr 8580).
6 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
7 An open-label phase 2 trial of entospletinib (GS-9973), a selective spleen tyrosine kinase inhibitor, in chronic lymphocytic leukemia. Blood. 2015 Apr 9;125(15):2336-43.
8 Clinical pipeline report, company report or official report of Hanmi Pharmaceutical.
9 Advances in kinase inhibition: treating rheumatic diseases and beyond. Curr Opin Rheumatol. 2014 March; 26(2): 237-243.