Compound Detail
CHEMBL1814775
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Basic Information
| ChEMBL ID | CHEMBL1814775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEXHZJCZGGFELS-IDTAVKCVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
-0.98
ALogP
9
HBA
5
HBD
155.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 130.0 | nM | 6.89 | Cytotoxicity against human CCRF-CEM cells after 3 days by XTT assay | 21711054 |
| NON-PROTEIN TARGET | IC50 | = | 690.0 | nM | 6.16 | Cytotoxicity against human HeLaS3 cells after 3 days by XTT assay | 21711054 |
| Mycobacterium tuberculosis | IC50 | = | 48000.0 | nM | 4.32 | Antimycobacterial activity against Mycobacterium bovis BCG assessed as microbial... | 25259627 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25259627 | 10.1021/jm500497v | Mycobacterium tuberculosis | 3 |
| 25259627 | 10.1021/jm500497v | Unchecked | 2 |
| 25259627 | 10.1021/jm500497v | Adenosine kinase | 2 |
| 21711054 | 10.1021/jm2005173 | HL-60 | 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 | NON-PROTEIN TARGET | 1 |
| 21711054 | 10.1021/jm2005173 | A549 | 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 |
| 21711054 | 10.1021/jm2005173 | DU-145 | 1 |
| 21711054 | 10.1021/jm2005173 | NCI-H23 | 1 |
Data from ChEMBL 36 via Core Engine