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

Logarithm of the Partition Coefficient (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

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.