Details of the Drug

General Information of Drug (ID: DMWAKC8)

• Drug Name: BB-1433
• Synonyms: BB-2014; BB-2116; BB-2284; BB-2633; BB-3029; BB-3050; BB-3103; BB-3241

Indication

Disease Entry	ICD 11	Status	REF
Arthritis	FA20	Terminated	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 357.4
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C17H31N3O5
  IUPAC Name: (2R,3S)-N-[(2S)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-N',3-dihydroxy-2-propan-2-ylbutanediamide
  Canonical SMILES: CC(C)[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC
  InChI: InChI=1S/C17H31N3O5/c1-10(2)13(14(21)17(24)20-25)16(23)19-12(15(22)18-3)9-11-7-5-4-6-8-11/h10-14,21,25H,4-9H2,1-3H3,(H,18,22)(H,19,23)(H,20,24)/t12-,13+,14-/m0/s1
  InChIKey: OOYLWSYMDSXZMO-MJBXVCDLSA-N
• Cross-matching ID:
  PubChem CID: 101708593
  TTD ID: D0V0RW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase (MMP)	TT1GHVO	NOUNIPROTAC	Inhibitor	[2]

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800012928)
• [2] Anti-arthritic activity of hydroxamic acid-based pseudopeptide inhibitors of matrix metalloproteinases and TNF alpha processing. Inflamm Res. 1997 Jun;46(6):211-5.