Details of the Drug

General Information of Drug (ID: DM5SDV9)

• Drug Name: Bb-3497
• Synonyms: BB-3497; CHEMBL431210; BB 3497; 235784-88-0; 2-[(FORMYL-HYDROXY-AMINO)-METHYL]-HEXANOIC ACID (1-DIMETHYLCARBAMOYL-2,2-DIMETHYL-PROPYL)-AMIDE; (2r)-n-[(2s)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-{[formyl(hydroxy)amino]methyl}hexanamide; BB1; 1g27; (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide; AC1L4M3L; AC1Q5HZ8; SCHEMBL13754309; DTXSID80178216; BDBM50104501; BB3497; DB04368; (R)-2-[(Formyl-hydroxy-amino)-methyl]-hexanoic acid ((S)-1-dimethylcarbamoyl-2,2-

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 329.43
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C16H31N3O4
  IUPAC Name: (2R)-N-[(2S)-1-(dimethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-2-[[formyl(hydroxy)amino]methyl]hexanamide
  Canonical SMILES: CCCC[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
  InChI: InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1
  InChIKey: AVDLWYHBABSSHC-CHWSQXEVSA-N
• Cross-matching ID:
  PubChem CID: 159596
  CAS Number: 235784-88-0
  DrugBank ID: DB04368
  TTD ID: D0N8YA

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Staphylococcus Peptide deformylase (Stap-coc def)	TTICO5G	DEF_STAAU	Inhibitor	[1]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.