Compound Detail
CHEMBL79536
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CC1(C)CC2CC(C)(CN2CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CC6(C)CC5CC(C)(C)C6)cc4nc3c2)C1
Basic Information
| ChEMBL ID | CHEMBL79536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOEIWKVNAZFMBP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
623.9
MW (Da)
7.85
ALogP
5
HBA
2
HBD
77.6
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 500.0 | nM | 6.3 | In vitro cytotoxicity against human ovarian carcinoma cell line A2780 using sulf... | 10498189 |
| CH1 | IC50 | = | 540.0 | nM | 6.27 | In vitro cytotoxicity against human ovarian carcinoma cell line CH1 using sulfor... | 10498189 |
| SK-OV-3 | IC50 | = | 2200.0 | nM | 5.66 | In vitro cytotoxicity against human ovarian carcinoma cell line SKOV-3 using sul... | 10498189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498189 | 10.1016/s0960-894x(99)00394-7 | DNA polymerase I, thermostable | 3 |
| 10579817 | 10.1021/jm990287e | Telomerase reverse transcriptase | 1 |
| 10498189 | 10.1016/s0960-894x(99)00394-7 | Telomerase reverse transcriptase | 1 |
| 10498189 | 10.1016/s0960-894x(99)00394-7 | A2780 | 1 |
| 10498189 | 10.1016/s0960-894x(99)00394-7 | CH1 | 1 |
| 10498189 | 10.1016/s0960-894x(99)00394-7 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine