Compound Detail
CHEMBL474579
CEFOTETAN 💊 Approved Drug
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💊 Approved Drug
CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL474579 |
| Name | CEFOTETAN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | SRZNHPXWXCNNDU-IXOPCIAXSA-N |
| Therapeutic | ✓ Yes |
4
Targets
10
Activities
1
Assay Types
17
PK Parameters
20
Publications
5
Known Names
3
Indications
Molecular Properties
575.6
MW (Da)
-1.40
ALogP
14
HBA
4
HBD
219.9
PSA (Ų)
0.07
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1985 |
| Availability | Prescription |
| Chirality | Racemic |
Indications
Bacterial Infections Cholecystitis Osteomyelitis
ATC Classification
J01DC05
cefotetan
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 10 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.82 | 5.25 | 15.0 | 7 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 4.53 | 4.53 | 29600.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.16 | 4.16 | 69300.0 | 1 |
| ATP-binding cassette sub-family C member 3 CHEMBL5918 | IC50 | 4.1 | 4.1 | 79000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.42 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.7 | mL.min-1.kg-1 | Macaca |
| CL | 4.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 13.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.696 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 6.14 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.048 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.141 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 8.771 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.32 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.15 | - | Homo sapiens |
| Fu | 0.09 | - | Homo sapiens |
| Fu | 0.61 | - | Canis lupus familiaris |
| Fu | 0.7 | - | Rattus norvegicus |
| MRT | 5.2 | hr | Homo sapiens |
| T1/2 | 4.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine