CEPHRADINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1974)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9YA6SX5S4D

Structure
InChI Key RDLPVSKMFDYCOR-UEKVPHQBSA-N
Smile CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1
InChI
InChI=1S/C16H19N3O4S/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/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H19N3O4S
Molecular Weight 349.41
AlogP 0.35
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 0.0
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(%)
Enzyme Hydrolase
- - - - 0
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 100

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
17.39
Immune system disorders
17.39
Vascular disorders
17.39
Cardiac disorders
13.04
Skin and subcutaneous tissue disorders
13.04
Gastrointestinal disorders
4.35
Injury, poisoning and procedural complications
4.35
Musculoskeletal and connective tissue disorders
4.35
Nervous system disorders
4.35
Respiratory, thoracic and mediastinal disorders
4.35

Cross References

Resources Reference
ChEBI 3547
ChEMBL CHEMBL1604
DrugBank DB01333
DrugCentral 576
EPA CompTox DTXSID4022785
FDA SRS 9YA6SX5S4D
Human Metabolome Database HMDB0015428
Guide to Pharmacology 4830
KEGG C06897
PharmGKB PA448890
SureChEMBL SCHEMBL3244
ZINC ZINC000003830515
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