Compound Detail
CHEMBL1146
CEFAMANDOLE 🧪 Phase II
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🧪 Phase II
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1
Basic Information
| ChEMBL ID | CHEMBL1146 |
| Name | CEFAMANDOLE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | OLVCFLKTBJRLHI-AXAPSJFSSA-N |
| Therapeutic | ✓ Yes |
4
Targets
12
Activities
2
Assay Types
12
PK Parameters
20
Publications
6
Known Names
2
Indications
1
Mechanisms
Molecular Properties
462.5
MW (Da)
-0.23
ALogP
10
HBA
3
HBD
150.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Bacterial penicillin-binding protein inhibitor | INHIBITOR | Bacterial penicillin-binding protein | ✓ | ✓ |
Indications
Bacterial Infections Osteomyelitis
ATC Classification
J01DC03
cefamandole
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
Ki 8 meas. best 7.52
IC50 4 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 6 CHEMBL1641347 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Organic anion transporter 3 CHEMBL1641348 | Ki | 7.34 | 7.34 | 46.0 | 1 |
| Solute carrier family 22 member 11 CHEMBL2073677 | Ki | 5.94 | 5.94 | 1140.0 | 1 |
| Organic anion transporter 3 CHEMBL2073666 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 3.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 5.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 29.41 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 0.048 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.012 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.25 | - | Homo sapiens |
| MRT | 0.75 | hr | Homo sapiens |
| T1/2 | 0.25 | hr | Rattus norvegicus |
| T1/2 | 0.5667 | hr | Cercopithecidae |
| T1/2 | 0.8 | hr | Homo sapiens |
| T1/2 | 0.75 | 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 | = | 30.0 | nM | 7.52 | TP_TRANSPORTER: inhibition of PAH uptake in OAT1-expressing S2 cells | 11909604 |
| Organic anion transporter 3 | Ki | = | 46.0 | nM | 7.34 | TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells | 11909604 |
| Solute carrier family 22 member 11 | Ki | = | 1140.0 | nM | 5.94 | TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT4-expressing S2 cells | 11909604 |
| Organic anion transporter 3 | IC50 | = | 90000.0 | nM | 4.05 | TP_TRANSPORTER: inhibition of Estrone sulfate uptake in OAT3-expressing S2 cells | 12005172 |
Literature References
Data from ChEMBL 36 via Core Engine