DORIPENEM

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J01DH04
UNII BHV525JOBH
EPA CompTox DTXSID2046678

Structure

InChI Key AVAACINZEOAHHE-VFZPANTDSA-N
Smiles C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12
InChI
InChI=1S/C15H24N4O6S2/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25)/t6-,7-,8+,9+,10-,11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24N4O6S2
Molecular Weight 420.51
AlogP -1.6
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 162.06
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor
- - - - 0
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 0

Related Entries

Cross References

Resources Reference
ChEBI 135928
ChEMBL CHEMBL491571
DrugBank DB06211
DrugCentral 4149
FDA SRS BHV525JOBH
Human Metabolome Database HMDB0041883
PDB O6P
PubChem 73303
SureChEMBL SCHEMBL37471
ZINC ZINC000003922770
CONTENTS