CEFACLOR

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Trade Names
Synonyms
Status
Molecule Category Mixture
ATC J01DC04
UNII 3Z6FS3IK0K
EPA CompTox DTXSID3022748

Structure

InChI Key QYIYFLOTGYLRGG-GPCCPHFNSA-N
Smiles N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1
InChI
InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14ClN3O4S
Molecular Weight 367.81
AlogP 0.62
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 112.73
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Bacterial penicillin-binding protein inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 84.74-114.42
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 84.74-114.42

Cross References

Resources Reference
ChEBI 3478
ChEMBL CHEMBL680
DrugBank DB00833
DrugCentral 525
FDA SRS 3Z6FS3IK0K
Human Metabolome Database HMDB0014971
KEGG C06877
SureChEMBL SCHEMBL33540
ZINC ZINC000003812869
ChEMBL CHEMBL1201018
FDA SRS 69K7K19H4L
SureChEMBL SCHEMBL33539
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