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]
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Structure

3D MOL

2D MOL

#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

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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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.