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Compound Detail

CHEMBL1632

CEPHALOTHIN SODIUM
💊 Approved Drug
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💊 Approved Drug
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1632
Name CEPHALOTHIN SODIUM
Phase Approved
Structure Type MOL
InChI Key VUFGUVLLDPOSBC-XRZFDKQNSA-M
Therapeutic ✓ Yes
Parent Compound CHEMBL617
Active Moiety CHEMBL617

Known Names

38253 Averon Cefalotin sodium Cephalothin sodium Cephalothin sodium salt Keflin NSC-756667 Seffin Sodium cephalothin Synclotin Toricelocin
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
11
Known Names
1
Mechanisms

Molecular Properties

396.4
MW (Da)
0.59
ALogP
7
HBA
2
HBD
113.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1974
Availability Discontinued
Chirality Single Enantiomer

Routes of Administration

Parenteral

Flags

Natural Product
USAN Year 1965

Extended Properties

Molecular Formula C16H15N2NaO6S2
MW 418.43
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.37

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Bacterial penicillin-binding protein inhibitor INHIBITOR Bacterial penicillin-binding protein ✓ ✓

Activity Summary

IC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein phosphatase non-receptor type 7
CHEMBL2219
 IC50 6.04 6.04 920.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein phosphatase non-receptor type 7 IC50 = 920.0 nM 6.04 PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... -

Literature References

PubMed DOI Target Context # Activities
19243936 10.1016/j.bmcl.2009.02.018 Beta-lactamase 3
19243936 10.1016/j.bmcl.2009.02.018 Beta-lactamase TEM 3
19243936 10.1016/j.bmcl.2009.02.018 Unchecked 3
592331 10.1021/jm00222a025 Staphylococcus aureus 3
17417631 10.1038/nchembio873 Unchecked 1
20553011 10.1021/tx1000865 Hepatotoxicity 1
20843939 10.1124/dmd.110.035113 Hepatotoxicity 1
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
592331 10.1021/jm00222a025 Streptococcus pyogenes 1
592331 10.1021/jm00222a025 Escherichia coli 1
592331 10.1021/jm00222a025 Klebsiella pneumoniae 1
592331 10.1021/jm00222a025 Proteus vulgaris 1
592331 10.1021/jm00222a025 Pseudomonas aeruginosa 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine