Details of the Drug

General Information of Drug (ID: DMMD856)

Drug Name
Sulopenem
Synonyms CP-70,429; PF-03709270; PF-3,709,270
Indication
Disease Entry ICD 11 Status REF
Urinary tract infection GC08 Phase 3 [1]
Therapeutic Class
Antiinfective Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 349.5
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C12H15NO5S3
IUPAC Name
(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Canonical SMILES
C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)S[C@H]3CC[S@@](=O)C3)C(=O)O)O
InChI
InChI=1S/C12H15NO5S3/c1-5(14)7-9(15)13-8(11(16)17)12(20-10(7)13)19-6-2-3-21(18)4-6/h5-7,10,14H,2-4H2,1H3,(H,16,17)/t5-,6+,7+,10-,21-/m1/s1
InChIKey
FLSUCZWOEMTFAQ-PRBGKLEPSA-N
Cross-matching ID
PubChem CID
9950244
CAS Number
120788-07-0
UNII
XX514BJ1XW
DrugBank ID
DB15284
TTD ID
D08KYQ

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 Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03357614) Sulopenem Followed by Sulopenem-etzadroxil/Probenecid vs Ertapenem Followed by Cipro for Complicated UTI in Adults. U.S. National Institutes of Health.
2 In vitro antibacterial activity of a new parenteral penem, sulopenem. Jpn J Antibiot. 1996 Apr;49(4):324-37.