Details of the Drug

General Information of Drug (ID: DMXZU73)

Drug Name
Carbapenem
Synonyms Carbapenem; Cis-carbapenem; (5R)-1-azabicyclo[3.2.0]hept-2-en-7-one; 2,3-didehydro-1-carbapenam; 67836-EP2275424A1; 67836-EP2295402A2; 67836-EP2305219A1; 67836-EP2308874A1; CHEBI:46765; SCHEMBL37243
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 109.13
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C6H7NO
IUPAC Name
(5R)-1-azabicyclo[3.2.0]hept-2-en-7-one
Canonical SMILES
C1C=CN2C1CC2=O
InChI
YZBQHRLRFGPBSL-RXMQYKEDSA-N
InChIKey
1S/C6H7NO/c8-6-4-5-2-1-3-7(5)6/h1,3,5H,2,4H2/t5-/m1/s1
Cross-matching ID
PubChem CID
13293131
ChEBI ID
CHEBI:46765
INTEDE ID
DR2678

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Beta-lactamase (blaB) DEBKS91 A0A1B1FBM9_ACIBA Substrate [1]
Beta-lactamase (blaB) DESIWFO Q8GQK7_9FLAO Substrate [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Acylamino-acid-releasing enzyme (APEH) OTX258QE ACPH_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Investigation of carbapenemases and aminoglycoside modifying enzymes of Acinetobacter baumannii isolates recovered from patients admitted to intensive care units in a tertiary-care hospital in Brazil. Rev Soc Bras Med Trop. 2019 Dec 20;53:e20190044.
2 EBR-1, a novel Ambler subclass B1 beta-lactamase from Empedobacter brevis. Antimicrob Agents Chemother. 2002 Oct;46(10):3223-7.
3 Identification of valproic acid glucuronide hydrolase as a key enzyme for the interaction of valproic acid with carbapenem antibiotics. Drug Metab Dispos. 2010 Sep;38(9):1538-44. doi: 10.1124/dmd.110.032938. Epub 2010 Jun 15.