CEFOPERAZONE

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01DD12
UNII: 7U75I1278D

Structure
InChI Key GCFBRXLSHGKWDP-XCGNWRKASA-N
Smile CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O
InChI
InChI=1S/C25H27N9O8S2/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41)/t15-,16-,22-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H27N9O8S2
Molecular Weight 645.68
AlogP -1.11
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 220.26
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 44.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -17.92--0.13
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 1330000 - 1890 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 1 D010019 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 3493
ChEMBL CHEMBL507674
DrugBank DB01329
DrugCentral 543
EPA CompTox DTXSID2022759
FDA SRS 7U75I1278D
KEGG C06883
PubChem 44187
SureChEMBL SCHEMBL37056
ZINC ZINC000003830432
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