Compound Detail
CHEMBL31897
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Basic Information
| ChEMBL ID | CHEMBL31897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOGTXLLWVRUBDH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
243.6
MW (Da)
-0.78
ALogP
7
HBA
1
HBD
102.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
| TLX-5 CHEMBL615015 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TLX-5 | IC50 | = | 15800.0 | nM | 4.8 | In vitro cytotoxicity against mouse TLX5 lymphoma cells | 7739008 |
| NON-PROTEIN TARGET | IC50 | = | 15800.0 | nM | 4.8 | In vitro cytotoxicity against mouse TLX5 lymphoma cells | 12459014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2329560 | 10.1021/jm00167a018 | TLX-5 | 10 |
| 2329560 | 10.1021/jm00167a018 | L1210 | 8 |
| 7739008 | 10.1021/jm00009a010 | TLX-5 | 1 |
| 12459014 | 10.1021/jm020936d | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine