Compound Detail
CHEMBL5184496
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
Cc1cc(Cl)ccc1-c1cncc(C(=O)N[C@H]2CCc3c(C)ccc(N4CCN(C)CC4)c3C2)c1
Basic Information
| ChEMBL ID | CHEMBL5184496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOVWMSOCORMAAK-DEOSSOPVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
489.1
MW (Da)
5.06
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.72 | 5.27 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of Mycobacterium smegmatis ATP synthase | 34963068 |
| Unchecked | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of human ATP synthase | 34963068 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34963068 | 10.1016/j.ejmech.2021.114059 | Mycobacterium tuberculosis | 2 |
| 34963068 | 10.1016/j.ejmech.2021.114059 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 34963068 | 10.1016/j.ejmech.2021.114059 | Unchecked | 2 |
| 34963068 | 10.1016/j.ejmech.2021.114059 | Vero | 1 |
| 34963068 | 10.1016/j.ejmech.2021.114059 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine