Compound Detail
CHEMBL236297
RIFALAZIL 🧪 Phase III
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
🧪 Phase III
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL236297 |
| Name | RIFALAZIL |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | UEFHFKKWYKVLDC-HTQYORAHSA-N |
2
Targets
7
Activities
1
Assay Types
4
PK Parameters
15
Publications
3
Known Names
2
Indications
1
Mechanisms
Molecular Properties
941.1
MW (Da)
6.43
ALogP
16
HBA
5
HBD
230.7
PSA (Ų)
0.08
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| DNA-directed RNA polymerase inhibitor | INHIBITOR | DNA-directed RNA polymerase | ✓ | ✓ |
Indications
Intermittent Claudication Chlamydia Infections
Activity Summary
IC50 7 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.94 | 7.94 | 11.5 | 1 |
| DNA-directed RNA polymerase subunit beta CHEMBL4296294 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.8833 | hr | Mus musculus |
| T1/2 | 1.083 | hr | Homo sapiens |
| T1/2 | 60.0 | hr | Homo sapiens |
| T1/2 | 100.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11.5 | nM | 7.94 | Inhibition of Mycobacterium tuberculosis wild type RNA polymerase by rolling cir... | 22452568 |
| DNA-directed RNA polymerase subunit beta | IC50 | = | 63000.0 | nM | 4.2 | Inhibition of rifamycin-resistant Escherichia coli RNA polymerase S531L mutant a... | 23679862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31103404 | 10.1016/j.bmc.2019.04.032 | Mycobacterium leprae | 16 |
| 22452568 | 10.1021/jm201716n | ADMET | 5 |
| 22452568 | 10.1021/jm201716n | Unchecked | 5 |
| 17826091 | 10.1016/j.bmcl.2007.08.048 | Staphylococcus aureus | 3 |
| 18332169 | 10.1128/aac.01567-07 | Chlamydia pneumoniae | 3 |
| 23679862 | 10.1021/jm4004889 | DNA-directed RNA polymerase subunit beta | 3 |
| 17517836 | 10.1128/aac.01623-06 | Clostridioides difficile | 2 |
| 22452568 | 10.1021/jm201716n | Nuclear receptor subfamily 1 group I member 2 | 2 |
| 22452568 | 10.1021/jm201716n | Mycobacterium tuberculosis | 2 |
| 22452568 | 10.1021/jm201716n | Homo sapiens | 1 |
| 23679862 | 10.1021/jm4004889 | Unchecked | 1 |
| 24044773 | 10.1021/jm400887j | Homo sapiens | 1 |
| 35175750 | 10.1021/acs.jmedchem.1c02045 | Staphylococcus aureus | 1 |
| 35175750 | 10.1021/acs.jmedchem.1c02045 | Clostridioides difficile | 1 |
| 35175750 | 10.1021/acs.jmedchem.1c02045 | Helicobacter pylori | 1 |
Data from ChEMBL 36 via Core Engine