Compound Detail
CHEMBL996
CEFOXITIN 💊 Approved Drug
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💊 Approved Drug
CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL996 |
| Name | CEFOXITIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | WZOZEZRFJCJXNZ-ZBFHGGJFSA-N |
| Therapeutic | ✓ Yes |
5
Targets
7
Activities
2
Assay Types
4
PK Parameters
20
Publications
6
Known Names
3
Indications
Molecular Properties
427.5
MW (Da)
0.10
ALogP
8
HBA
3
HBD
148.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1978 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Bacterial Infections Lung Diseases Osteomyelitis
ATC Classification
J01DC01
cefoxitin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
Ki 6 meas. best 7.0
IC50 1 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-lactamase ADC-33 CHEMBL1667700 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| PER-2 beta-lactamase CHEMBL5303 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.82 | 6.795 | 150.0 | 2 |
| ADC-11 CHEMBL1667701 | Ki | 6.3 | 6.3 | 500.0 | 1 |
| Organic anion transporter 3 CHEMBL2073672 | IC50 | 4.24 | 4.24 | 57000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.6 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.73 | - | Homo sapiens |
| MRT | 0.79 | hr | Homo sapiens |
| T1/2 | 0.81 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-lactamase ADC-33 | Ki | = | 100.0 | nM | 7.0 | Activity of Acinetobacter baumannii ADC-33 beta-lactamase | 20547808 |
| PER-2 beta-lactamase | Ki | = | 140.0 | nM | 6.85 | Inhibition of Citrobacter freundii PER2 beta lactamase | 17438050 |
| Unchecked | Ki | = | 150.0 | nM | 6.82 | Inhibition of Escherichia coli MC4100 Beta-Lactamase CMY-2 using cephalothin as ... | 19470510 |
| Unchecked | Ki | = | 170.0 | nM | 6.77 | Inhibition of Escherichia coli MC4100 Beta-Lactamase CMY-30 using cephalothin as... | 19470510 |
| ADC-11 | Ki | = | 500.0 | nM | 6.3 | Activity of Acinetobacter baumannii ADC-11 beta-lactamase | 20547808 |
| Organic anion transporter 3 | IC50 | = | 57000.0 | nM | 4.24 | Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluore... | 23344796 |
Literature References
Data from ChEMBL 36 via Core Engine