CEPHALEXIN

Search structure
Synonyms:
Status: Approved (1971)
Entry Type: Small molecule
Molecule Category: UNKNOWN
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Nasal Obstruction 3 D015508 ClinicalTrials
Skin Diseases 3 D012871 ClinicalTrials
Urinary Bladder Neoplasms 3 D001749 ClinicalTrials
Cystic Fibrosis 3 D003550 ClinicalTrials
Urinary Tract Infections 2 D014552 ClinicalTrials
Eczema 2 D004485 ClinicalTrials
Tuberculosis 2 D014376 ClinicalTrials
Staphylococcal Infections 2 D013203 ClinicalTrials
Cellulitis 2 D002481 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Dermatitis 2 D003872 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Urinary Bladder, Overactive 1 D053201 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 3535
ChEMBL CHEMBL1727
DrugBank DB00567
DrugCentral 571
EPA CompTox DTXSID9022780
FDA SRS OBN7UDS42Y
Human Metabolome Database HMDB14707
Guide to Pharmacology 4832
KEGG C06895
PharmGKB PA448883
PubChem 27447
SureChEMBL SCHEMBL2961
ZINC ZINC000003830500
ChEBI 3535
ChEMBL CHEMBL1200544
FDA SRS OBN7UDS42Y
Human Metabolome Database HMDB14707
KEGG C08099
PubChem 27447
SureChEMBL SCHEMBL2961
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