Details of the Drug

General Information of Drug (ID: DMFBN9O)

Drug Name

BB-78484

Synonyms

SCHEMBL5482389

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)

449.3

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C19H17BrN2O4S
IUPAC Name: (2R)-2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-naphthalen-2-ylpropanamide
Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C[C@H](C(=O)NO)NS(=O)(=O)C3=CC=C(C=C3)Br
InChI: InChI=1S/C19H17BrN2O4S/c20-16-7-9-17(10-8-16)27(25,26)22-18(19(23)21-24)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-11,18,22,24H,12H2,(H,21,23)/t18-/m1/s1
InChIKey: WJFADFOFCRGJHM-GOSISDBHSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Pseudomonas UDP-3-O-acyl-GlcNAc deacetylase (Pseudo lpxC)	TT0OFWN	LPXC_PSEAE	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Antibacterial activities and characterization of novel inhibitors of LpxC. Antimicrob Agents Chemother. 2002 Jun;46(6):1793-9.