Compound Detail
CHEMBL78703
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Basic Information
| ChEMBL ID | CHEMBL78703 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDYGKLQSWCCUFT-QAPCUYQASA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
1.96
ALogP
5
HBA
1
HBD
91.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| A2780cisR CHEMBL614023 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 50.0 | nM | 7.3 | Inhibitory concentration measured against the prostate cancer cell line DU145 | 15664831 |
| A2780cisR | IC50 | = | 76.0 | nM | 7.12 | The compound was evaluated for the cytotoxicity against human A2780cisR (ovarian... | 10698444 |
| HT-29 | IC50 | = | 330.0 | nM | 6.48 | The compound was evaluated for the cytotoxicity against human HT-29 (colon) tumo... | 10698444 |
| SK-OV-3 | IC50 | = | 1250.0 | nM | 5.9 | The compound was evaluated for the cytotoxicity against human SKOV-3 (ovarian) t... | 10698444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911269 | 10.1016/j.bmcl.2005.03.091 | NON-PROTEIN TARGET | 2 |
| 10698444 | 10.1016/s0960-894x(99)00663-0 | A2780 | 1 |
| 10698444 | 10.1016/s0960-894x(99)00663-0 | A2780cisR | 1 |
| 10698444 | 10.1016/s0960-894x(99)00663-0 | CH1 | 1 |
| 10698444 | 10.1016/s0960-894x(99)00663-0 | SK-OV-3 | 1 |
| 10698444 | 10.1016/s0960-894x(99)00663-0 | HT-29 | 1 |
| 15664831 | 10.1016/j.bmcl.2004.11.037 | NON-PROTEIN TARGET | 1 |
| 15911269 | 10.1016/j.bmcl.2005.03.091 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine