Compound Detail
CHEMBL891
CLOXACILLIN 💊 Approved Drug
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💊 Approved Drug
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O
Basic Information
| ChEMBL ID | CHEMBL891 |
| Name | CLOXACILLIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | LQOLIRLGBULYKD-JKIFEVAISA-N |
| Therapeutic | ✓ Yes |
7
Targets
16
Activities
2
Assay Types
3
PK Parameters
20
Publications
4
Known Names
6
Indications
Molecular Properties
435.9
MW (Da)
2.55
ALogP
6
HBA
2
HBD
112.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1974 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Indications
Bacterial Infections Enterobacteriaceae Infections Staphylococcal Infections Gram-Positive Bacterial Infections Mastitis Osteomyelitis
ATC Classification
J01CF02
cloxacillin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 8 meas. best 8.4
Ki 8 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.7 | 9.17 | 0.2 | 2 |
| Efflux transporter CHEMBL1641337 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Class C beta-lactamase CMY-36 CHEMBL1641338 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Beta-lactamase ACC-4 CHEMBL5305 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Beta-lactamase TEM CHEMBL2065 | Ki | 4.89 | 4.89 | 13000.0 | 1 |
| Organic anion transporter 3 CHEMBL2073672 | IC50 | 4.51 | 4.51 | 30900.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.38 | 4.38 | 41570.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 1.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.6 | mL.min-1.kg-1 | Homo sapiens |
| F | 37.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine