CEPHALEXIN

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Synonyms
Status
Molecule Category Free-form
UNII OBN7UDS42Y

Structure

InChI Key AVGYWQBCYZHHPN-CYJZLJNKSA-N
Smiles CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1.O
InChI
InChI=1S/C16H17N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17N3O4S
Molecular Weight 347.4
AlogP 0.44
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
- - - - 89.2-94.03
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 89.2-94.03
Homo sapiens
- - - -

Cross References

Resources Reference
ChEBI 3535
ChEMBL CHEMBL1200544
FDA SRS OBN7UDS42Y
KEGG C08099
SureChEMBL SCHEMBL41911
ChEBI 3534
ChEMBL CHEMBL1727
DrugBank DB00567
DrugCentral 571
FDA SRS 5SFF1W6677
Human Metabolome Database HMDB0014707
Guide to Pharmacology 4832
KEGG C06895
PharmGKB PA448883
SureChEMBL SCHEMBL2961
ZINC ZINC000003830500
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