Details of the Drug

General Information of Drug (ID: DMUD85N)

Drug Name
N-Benzyl-4-(2,5-dihydroxy-benzylamino)-benzamide
Synonyms CHEMBL343071; N-Benzyl-4-(2,5-dihydroxy-benzylamino)-benzamide; BDBM50102429
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 348.4
Topological Polar Surface Area (xlogp) 3.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H20N2O3
IUPAC Name
N-benzyl-4-[(2,5-dihydroxyphenyl)methylamino]benzamide
Canonical SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NCC3=C(C=CC(=C3)O)O
InChI
InChI=1S/C21H20N2O3/c24-19-10-11-20(25)17(12-19)14-22-18-8-6-16(7-9-18)21(26)23-13-15-4-2-1-3-5-15/h1-12,22,24-25H,13-14H2,(H,23,26)
InChIKey
QQMFNDVDKBSOEC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10593843
TTD ID
D0C7AS

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 Discovery agent
ICD Disease Classification N.A.
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 Design, synthesis, and biological evaluation of a series of lavendustin A analogues that inhibit EGFR and Syk tyrosine kinases, as well as tubulin ... J Med Chem. 2001 Feb 1;44(3):441-52.
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.
10 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)