CEFAZOLIN

Search structure
Synonyms:
Status: Approved (1973)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01DB04
UNII: IHS69L0Y4T

Structure
InChI Key MLYYVTUWGNIJIB-BXKDBHETSA-N
Smile Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1
InChI
InChI=1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H14N8O4S3
Molecular Weight 454.52
AlogP -0.64
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 156.09
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -9.9--5.59
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - 450000-560000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arrhythmias, Cardiac 3 D001145 ClinicalTrials
Skin Diseases 3 D012871 ClinicalTrials
Bacteremia 3 D016470 ClinicalTrials
Cellulitis 3 D002481 ClinicalTrials
Osteomyelitis 3 D010019 ClinicalTrials
Staphylococcal Infections 3 D013203 ClinicalTrials
Infections 3 D007239 ClinicalTrials
Laryngeal Neoplasms 3 D007822 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 3 D064129 ClinicalTrials
Gram-Positive Bacterial Infections 3 D016908 ClinicalTrials
Clostridium Infections 3 D003015 ClinicalTrials
Fractures, Bone 2 D050723 ClinicalTrials
Wounds and Injuries 2 D014947 ClinicalTrials
Obesity 1 D009765 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 25953-19-9
ChEBI 474053
ChEMBL CHEMBL1435
DrugBank DB01327
DrugCentral 530
EPA CompTox DTXSID2022753
FDA SRS IHS69L0Y4T
Human Metabolome Database HMDB15422
Guide to Pharmacology 10935
KEGG C06880
PubChem 33255
SureChEMBL SCHEMBL2841
ZINC ZINC000003830405
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