Compound Detail
CHEMBL1814762
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 | CHEMBL1814762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAFLKKGMJZQGAJ-LSCFUAHRSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
0.29
ALogP
8
HBA
4
HBD
126.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.39
IC50 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 5.87 | 5.87 | 1340.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | EC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 4.49 | 4.49 | 32300.0 | 1 |
| MRC5 CHEMBL614181 | EC50 | 4.25 | 4.25 | 56200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | IC50 | = | 1340.0 | nM | 5.87 | Antimycobacterial activity against Mycobacterium bovis BCG assessed as microbial... | 25259627 |
| Trypanosoma brucei rhodesiense | EC50 | = | 4100.0 | nM | 5.39 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB-900 after ... | 30677668 |
| Trypanosoma brucei brucei | EC50 | = | 32300.0 | nM | 4.49 | Antitrypanosomal activity against Trypanosoma brucei brucei Squib 427 after 48 h... | 30677668 |
| MRC5 | EC50 | = | 56200.0 | nM | 4.25 | Cytotoxicity against human MRC5 cells assessed as reduction in cell viability af... | 30677668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21711054 | 10.1021/jm2005173 | DU-145 | 7 |
| 25259627 | 10.1021/jm500497v | Mycobacterium tuberculosis | 3 |
| 30677668 | 10.1016/j.ejmech.2018.12.050 | Unchecked | 2 |
| 25259627 | 10.1021/jm500497v | Unchecked | 2 |
| 21711054 | 10.1021/jm2005173 | NON-PROTEIN TARGET | 1 |
| 27485386 | 10.1016/j.bmcl.2016.07.041 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | 1 |
| 30677668 | 10.1016/j.ejmech.2018.12.050 | Trypanosoma brucei brucei | 1 |
| 25259627 | 10.1021/jm500497v | Adenosine kinase | 1 |
| 25259627 | 10.1021/jm500497v | BJ | 1 |
| 25259627 | 10.1021/jm500497v | MRC5 | 1 |
| 21711054 | 10.1021/jm2005173 | Adenosine kinase | 1 |
| 21711054 | 10.1021/jm2005173 | CCRF-CEM | 1 |
| 21711054 | 10.1021/jm2005173 | A549 | 1 |
| 21711054 | 10.1021/jm2005173 | HL-60 | 1 |
| 21711054 | 10.1021/jm2005173 | MT4 | 1 |
| 21711054 | 10.1021/jm2005173 | BT-549 | 1 |
| 21711054 | 10.1021/jm2005173 | Unchecked | 1 |
| 21711054 | 10.1021/jm2005173 | HCT-15 | 1 |
| 21711054 | 10.1021/jm2005173 | HCT-116 | 1 |
| 21711054 | 10.1021/jm2005173 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine