Compound Detail
CHEMBL4104517
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
Basic Information
| ChEMBL ID | CHEMBL4104517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFCPJBFBASKMEY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.8
MW (Da)
3.37
ALogP
5
HBA
0
HBD
39.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.44 | 4.44 | 36100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 36100.0 | nM | 4.44 | Inhibition of ATP synthase in Mycobacterium smegmatis inverted membrane vesicles... | 28075132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28075132 | 10.1021/acs.jmedchem.6b01358 | Unchecked | 3 |
| 28075132 | 10.1021/acs.jmedchem.6b01358 | Mycobacterium tuberculosis | 1 |
| 28075132 | 10.1021/acs.jmedchem.6b01358 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine