Compound Detail
CHEMBL57685
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Basic Information
| ChEMBL ID | CHEMBL57685 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGOQVGSGBATEPX-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
2.99
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.82 | 6.82 | 150.0 | 2 |
| P388 CHEMBL389 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| LLTC cell line CHEMBL614093 | IC50 | 6.79 | 6.79 | 161.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 6.36 | 6.36 | 436.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 150.0 | nM | 6.82 | Concentration required to inhibit growth of murine leukemia (L1210) cells in cul... | 3351846 |
| L1210 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of L1210 cell growth by 50% | 11831901 |
| P388 | IC50 | = | 150.0 | nM | 6.82 | Inhibitory concentration required to reduce murine p388 leukemia cell number to ... | 9191970 |
| LLTC cell line | IC50 | = | 161.0 | nM | 6.79 | Inhibitory concentration required to reduce Lewis lung carcinoma cell number to ... | 9191970 |
| Jurkat | IC50 | = | 436.0 | nM | 6.36 | Inhibitory concentration required to reduce human Jurkat leukemia (JLC sensitive... | 9191970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191970 | 10.1021/jm970004n | Jurkat | 3 |
| 3351846 | 10.1021/jm00399a003 | Calf thymus DNA | 2 |
| 3351846 | 10.1021/jm00399a003 | P388 | 2 |
| 11831901 | 10.1021/jm000473g | Nucleic Acid | 2 |
| 11831901 | 10.1021/jm000473g | Mus musculus | 2 |
| 3351846 | 10.1021/jm00399a003 | No relevant target | 1 |
| 3351846 | 10.1021/jm00399a003 | L1210 | 1 |
| 11831901 | 10.1021/jm000473g | No relevant target | 1 |
| 11831901 | 10.1021/jm000473g | L1210 | 1 |
| 9191970 | 10.1021/jm970004n | P388 | 1 |
| 9191970 | 10.1021/jm970004n | LLTC cell line | 1 |
Data from ChEMBL 36 via Core Engine