Compound Detail
CHEMBL507674
CEFOPERAZONE 💊 Approved Drug
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
💊 Approved Drug
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O
Basic Information
| ChEMBL ID | CHEMBL507674 |
| Name | CEFOPERAZONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | GCFBRXLSHGKWDP-XCGNWRKASA-N |
| Therapeutic | ✓ Yes |
3
Targets
8
Activities
2
Assay Types
19
PK Parameters
20
Publications
3
Known Names
2
Indications
Molecular Properties
645.7
MW (Da)
-1.11
ALogP
13
HBA
4
HBD
220.3
PSA (Ų)
0.14
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1982 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Indications
Bacterial Infections Osteomyelitis
ATC Classification
J01DD12
cefoperazone
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
Ki 5 meas. best 6.68
IC50 3 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 6 CHEMBL1641347 | Ki | 6.68 | 6.68 | 210.0 | 1 |
| Organic anion transporter 3 CHEMBL1641348 | Ki | 5.72 | 5.72 | 1890.0 | 1 |
| Solute carrier family 22 member 11 CHEMBL2073677 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.96 | mL.min-1.kg-1 | Macaca |
| CL | 1.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 5.8 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 23.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 3.0 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 22.03 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 16.3 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 2.129 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.149 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.202 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 10.05 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.1467 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 5.385 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | 0.07 | - | Homo sapiens |
| Fu | 0.429 | - | Rattus norvegicus |
| MRT | 2.2 | hr | Homo sapiens |
| T1/2 | 1.8 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 6 | Ki | = | 210.0 | nM | 6.68 | TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells | 11909604 |
| Organic anion transporter 3 | Ki | = | 1890.0 | nM | 5.72 | TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells | 11909604 |
| Solute carrier family 22 member 11 | Ki | = | 2800.0 | nM | 5.55 | TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cells | 11909604 |
Literature References
Data from ChEMBL 36 via Core Engine