Details of the Drug

General Information of Drug (ID: DMS1NC8)

Drug Name

DZ-2640

Synonyms

(1R,5S,6S)-2-[6,7-Dihydro-5H-pyrrolo[1,2-a]imidazol-6(S)-ylsulfanyl]-6-[1(R)-hydroxyethyl]-1-methyl-1-carba-2-penem-3-carboxylic acid pivaloyloxymethyl ester

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

463.5

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C22H29N3O6S
IUPAC Name: 2,2-dimethylpropanoyloxymethyl (4R,5R,6S)-3-[[(6S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]sulfanyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Canonical SMILES: C[C@@H]1[C@H]2[C@H](C(=O)N2C(=C1S[C@H]3CC4=NC=CN4C3)C(=O)OCOC(=O)C(C)(C)C)[C@@H](C)O
InChI: InChI=1S/C22H29N3O6S/c1-11-16-15(12(2)26)19(27)25(16)17(20(28)30-10-31-21(29)22(3,4)5)18(11)32-13-8-14-23-6-7-24(14)9-13/h6-7,11-13,15-16,26H,8-10H2,1-5H3/t11-,12-,13+,15-,16+/m1/s1
InChIKey: SVIXKYNOOFZUFA-QUEVPRLRSA-N

Cross-matching ID

PubChem CID: 101700650
TTD ID: D0H9RD

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Pharmacokinetics and safety of ascending single doses of DZ-2640, a new oral carbapenem antibiotic, administered to healthy Japanese subjects. Antimicrob Agents Chemother. 2000 Mar;44(3):578-82.
2	In vitro activity of DU-6681a, an active form of the new oral carbapenem compound DZ-2640, in comparison with that of R-95867, faropenem and oral cephalosporins. J Antimicrob Chemother. 2000 Jul;46(1):101-8.