CEPHALEXIN

Search structure
Synonyms:
Status: Approved (1971)
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: OBN7UDS42Y

Structure
InChI Key AVGYWQBCYZHHPN-CYJZLJNKSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC15 family of peptide transporters
- - - 75000-75858 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 89
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Respiratory Tract Infections 4 D012141 ClinicalTrials
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Cystic Fibrosis 3 D003550 ClinicalTrials
Skin Diseases 3 D012871 ClinicalTrials
Nasal Obstruction 3 D015508 ClinicalTrials
Staphylococcal Infections 2 D013203 ClinicalTrials
Cellulitis 2 D002481 ClinicalTrials
Urinary Tract Infections 2 D014552 ClinicalTrials
Eczema 2 D004485 ClinicalTrials
Dermatitis, Atopic 2 D003876 ClinicalTrials
Urinary Bladder, Overactive 1 D053201 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 3535
ChEMBL CHEMBL1200544
FDA SRS OBN7UDS42Y
KEGG C08099
SureChEMBL SCHEMBL41911
ChEBI 3534
ChEMBL CHEMBL1727
DrugBank DB00567
DrugCentral 571
EPA CompTox DTXSID9022780
FDA SRS 5SFF1W6677
Human Metabolome Database HMDB0014707
Guide to Pharmacology 4832
KEGG C06895
PharmGKB PA448883
SureChEMBL SCHEMBL2961
ZINC ZINC000003830500
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