CEFEPIME

Search structure
Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01DE01
UNII: 807PW4VQE3

Structure
InChI Key HVFLCNVBZFFHBT-ZKDACBOMSA-N
Smile CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1
InChI
InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24N6O5S2
Molecular Weight 480.57
AlogP -1.28
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 150.04
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease
- 0.1 - - -
Enzyme Transferase
- 0.6 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC15 family of peptide transporters
- - - 10964781.96-11000000 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 1700000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Shock, Septic 3 D012772 ClinicalTrials
Urinary Tract Infections 3 D014552 ClinicalTrials
Pyelonephritis 3 D011704 ClinicalTrials
Enterobacteriaceae Infections 3 D004756 ClinicalTrials
Pneumonia, Ventilator-Associated 3 D053717 ClinicalTrials
Hematologic Neoplasms 2 D019337 ClinicalTrials
Communicable Diseases 2 D003141 ClinicalTrials
Osteomyelitis 1 D010019 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 88040-23-7
ChEBI 478164
ChEMBL CHEMBL186
DrugBank DB01413
DrugCentral 535
EPA CompTox DTXSID70873208
FDA SRS 807PW4VQE3
Human Metabolome Database HMDB0015483
Guide to Pharmacology 10772
KEGG C08111
PharmGKB PA164754876
PubChem 5479537
SureChEMBL SCHEMBL65720
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