Compound Detail
CHEMBL3707376
CADAZOLID 🧪 Phase III
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🧪 Phase III
O=C(O)c1cn(C2CC2)c2cc(N3CCC(O)(COc4ccc(N5C[C@H](CO)OC5=O)cc4F)CC3)c(F)cc2c1=O
Basic Information
| ChEMBL ID | CHEMBL3707376 |
| Name | CADAZOLID |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | XWFCFMXQTBGXQW-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
14
PK Parameters
6
Publications
2
Known Names
1
Indications
1
Mechanisms
Molecular Properties
585.6
MW (Da)
3.04
ALogP
9
HBA
3
HBD
141.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Bacterial 70S ribosome inhibitor | INHIBITOR | Bacterial 70S ribosome | ✓ | ✓ |
Indications
Clostridium Infections
Activity Summary
IC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Clostridioides difficile CHEMBL614965 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 255.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 9.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 78.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 27.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 147.0 | ng.hr.mL-1 | Mus musculus |
| CL | 65.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 96.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 5.123 | nM | Mus musculus |
| Cmax | 10.25 | nM | Mus musculus |
| Cmax | 20.49 | nM | Mus musculus |
| Cmax | 17.08 | nM | Mus musculus |
| F | - | % | Rattus norvegicus |
| Fu | 0.079 | - | Rattus norvegicus |
| T1/2 | 0.6 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Clostridioides difficile | IC50 | = | 380.0 | nM | 6.42 | Antibacterial activity against Clostridioides difficile assessed as inhibition o... | 38753983 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38753983 | 10.1021/acs.jmedchem.4c00558 | ADMET | 23 |
| 38753983 | 10.1021/acs.jmedchem.4c00558 | No relevant target | 10 |
| 38753983 | 10.1021/acs.jmedchem.4c00558 | Clostridioides difficile | 5 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 38753983 | 10.1021/acs.jmedchem.4c00558 | Enterococcus faecium | 2 |
| 38753983 | 10.1021/acs.jmedchem.4c00558 | Bacteroides thetaiotaomicron | 1 |
Data from ChEMBL 36 via Core Engine