Compound Detail
CHEMBL893
DICLOXACILLIN 💊 Approved Drug
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💊 Approved Drug
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O
Basic Information
| ChEMBL ID | CHEMBL893 |
| Name | DICLOXACILLIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | YFAGHNZHGGCZAX-JKIFEVAISA-N |
| Therapeutic | ✓ Yes |
2
Targets
10
Activities
2
Assay Types
24
PK Parameters
20
Publications
5
Known Names
4
Indications
Molecular Properties
470.3
MW (Da)
3.20
ALogP
6
HBA
2
HBD
112.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1968 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Bacterial Infections Bacteremia Gram-Positive Bacterial Infections Osteomyelitis
ATC Classification
J01CF01
dicloxacillin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 5 meas. best 4.78
Ki 5 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Organic anion transporter 3 CHEMBL2073672 | IC50 | 4.78 | 4.78 | 16600.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.35 | 4.2533 | 45000.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 725890.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 189980.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 70380.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 21370.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 79184.76 | ng.hr.mL-1 | Homo sapiens |
| CL | 2.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.8 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.0 | mL.min-1.kg-1 | Homo sapiens |
| Cmax | 1124848.51 | nM | Mus musculus |
| Cmax | 471732.61 | nM | Mus musculus |
| Cmax | 191652.67 | nM | Mus musculus |
| Cmax | 76520.74 | nM | Mus musculus |
| Cmax | 63785.0 | nM | Homo sapiens |
| F | 79.0 | % | Homo sapiens |
| Fu | 0.033 | - | Homo sapiens |
| Fu | 0.033 | - | Homo sapiens |
| MRT | 0.92 | hr | Homo sapiens |
| T1/2 | 0.5 | hr | Mus musculus |
| T1/2 | 0.3667 | hr | Mus musculus |
| T1/2 | 0.4167 | hr | Mus musculus |
| T1/2 | 0.3167 | hr | Mus musculus |
| T1/2 | 0.88 | hr | Homo sapiens |
| T1/2 | 1.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Organic anion transporter 3 | IC50 | = | 16600.0 | nM | 4.78 | Inhibition of mouse OAT3 expressed in CHO cells assessed as inhibition of fluore... | 23344796 |
| Bile salt export pump | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane ves... | 20829430 |
| Bile salt export pump | IC50 | = | 56400.0 | nM | 4.25 | Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as... | 23956101 |
| Bile salt export pump | IC50 | = | 69700.0 | nM | 4.16 | Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells ass... | 21965623 |
Literature References
Data from ChEMBL 36 via Core Engine