Details of the Drug

General Information of Drug (ID: DMZKBMG)

Drug Name
Lenapenem hydrochloride hydrate
Synonyms BO-2727; L-739428
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 454
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 7
Hydrogen Bond Acceptor Count 9
Chemical Identifiers
Formula
C18H32ClN3O6S
IUPAC Name
(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-3-[(3S,5S)-5-[(1R)-1-hydroxy-3-(methylamino)propyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate;hydrochloride
Canonical SMILES
C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)[C@@H](CCNC)O)C(=O)O)[C@@H](C)O.O.Cl
InChI
InChI=1S/C18H29N3O5S.ClH.H2O/c1-8-14-13(9(2)22)17(24)21(14)15(18(25)26)16(8)27-10-6-11(20-7-10)12(23)4-5-19-3;;/h8-14,19-20,22-23H,4-7H2,1-3H3,(H,25,26);1H;1H2/t8-,9-,10+,11+,12-,13-,14-;;/m1../s1
InChIKey
FNSICOGCVDQJPU-HCRFUVGVSA-N
Cross-matching ID
PubChem CID
443100
CAS Number
149882-71-3
TTD ID
D0A5SR
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Penicillin binding protein (Bact PBP) TTJP4SM NOUNIPROTAC Inhibitor [2]
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 800002282)
2 Affinities of BO-2727 for bacterial penicillin-binding proteins and morphological change of gram-negative rods. J Antibiot (Tokyo). 1997 Feb;50(2):139-42.