Compound Detail
CHEMBL206231
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Basic Information
| ChEMBL ID | CHEMBL206231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZSUKZPKGHIVJW-QYCBEVINSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
389.1
MW (Da)
-0.02
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLT-4 CHEMBL614177 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLT-4 | IC50 | = | 21000.0 | nM | 4.68 | Tested for in vitro cytostatic activity against human lymphoblast Molt-4 (Clone8... | 7932585 |
| CCRF-CEM | IC50 | = | 32000.0 | nM | 4.5 | Tested for in vitro cytostatic activity against CEM cells | 7932585 |
| L1210 | IC50 | = | 43000.0 | nM | 4.37 | Tested for in vitro cytostatic activity against murine leukemia L1210 | 7932585 |
| FM3A | IC50 | = | 43000.0 | nM | 4.37 | Tested for in vitro cytostatic activity against murine mammary carcinoma (FM3A) | 7932585 |
| Trichomonas vaginalis | IC50 | = | 76000.0 | nM | 4.12 | Antitrypanosomal activity against Trichomonas vaginalis T1 | 21044841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932585 | 10.1021/jm00047a015 | Vero | 6 |
| 7932585 | 10.1021/jm00047a015 | Adenosylhomocysteinase | 5 |
| 7932585 | 10.1021/jm00047a015 | E6SM | 5 |
| 7932585 | 10.1021/jm00047a015 | HeLa | 3 |
| 21044841 | 10.1016/j.bmcl.2010.10.014 | Trichomonas vaginalis | 3 |
| 7932585 | 10.1021/jm00047a015 | L1210 | 1 |
| 7932585 | 10.1021/jm00047a015 | FM3A | 1 |
| 7932585 | 10.1021/jm00047a015 | MOLT-4 | 1 |
| 7932585 | 10.1021/jm00047a015 | CCRF-CEM | 1 |
| 16539398 | 10.1021/jm0511379 | Trypanosoma brucei | 1 |
| 21044841 | 10.1016/j.bmcl.2010.10.014 | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine