Details of the Drug

General Information of Drug (ID: DMFC564)

Drug Name

N-(2-bromobenzoyloxy)-4-chlorobenzamide

Synonyms

CHEMBL1253383; N-{[(2-bromophenyl)carbonyl]oxy}-4-chlorobenzamide; N-(2-bromobenzoyloxy)-4-chlorobenzamide; AC1LQE9K; CBMicro_012071; MolPort-002-189-016; ZINC1186119; SMSF0017521; STK185858; BDBM50326572; AKOS005412260; MCULE-4091237725; CB15272; [(4-chlorobenzoyl)amino] 2-bromobenzoate; BIM-0012056.P001; SR-01000230575

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

354.58

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H9BrClNO3
IUPAC Name: [(4-chlorobenzoyl)amino] 2-bromobenzoate
Canonical SMILES: C1=CC=C(C(=C1)C(=O)ONC(=O)C2=CC=C(C=C2)Cl)Br
InChI: InChI=1S/C14H9BrClNO3/c15-12-4-2-1-3-11(12)14(19)20-17-13(18)9-5-7-10(16)8-6-9/h1-8H,(H,17,18)
InChIKey: XBZVDYJKCJLDSB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1348789
TTD ID: D0A5XY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MIF messenger RNA (MIF mRNA)	TT6804T	MIF_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	An integrative in silico methodology for the identification of modulators of macrophage migration inhibitory factor (MIF) tautomerase activity. Bioorg Med Chem. 2010 Jul 15;18(14):5425-40.