Compound Detail
CHEMBL51757
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Basic Information
| ChEMBL ID | CHEMBL51757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPHDOHPLOXZZBQ-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
2.19
ALogP
5
HBA
2
HBD
69.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.0 | 5.98 | 1000.0 | 2 |
| CH1 CHEMBL614455 | IC50 | 5.58 | 5.58 | 2600.0 | 2 |
| A2780 CHEMBL614004 | IC50 | 5.51 | 5.495 | 3100.0 | 2 |
| SK-OV-3 CHEMBL614925 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 1000.0 | nM | 6.0 | Resistance factor (IC50 in the resistant cell line/IC50 in the parent cell line) | 15027879 |
| Homo sapiens | IC50 | = | 1100.0 | nM | 5.96 | Resistance factor (IC50 in the resistant cell line/IC50 in the parent cell line) | 15027879 |
| CH1 | IC50 | = | 2600.0 | nM | 5.58 | Growth inhibition against CH-1 wild-type ovarian cell lines | 15027879 |
| CH1 | IC50 | = | 2600.0 | nM | 5.58 | Growth inhibition against CH-1 cisplatin resistant wild-type ovarian cell lines | 15027879 |
| A2780 | IC50 | = | 3100.0 | nM | 5.51 | Growth inhibition against A2780 wild-type ovarian cell lines | 15027879 |
| A2780 | IC50 | = | 3300.0 | nM | 5.48 | Growth inhibition against A2780 cisplatin resistant wild-type ovarian cell lines | 15027879 |
| SK-OV-3 | IC50 | = | 11500.0 | nM | 4.94 | Growth inhibition against SKOV3 wild-type ovarian cell lines | 15027879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027879 | 10.1021/jm031070u | A2780 | 2 |
| 15027879 | 10.1021/jm031070u | Homo sapiens | 2 |
| 15027879 | 10.1021/jm031070u | CH1 | 2 |
| 15027879 | 10.1021/jm031070u | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine