Compound Detail
CHEMBL310569
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O=C(CCN1CCC(Cc2ccccc2)CC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCC(Cc5ccccc5)CC4)cc3nc2c1
Basic Information
| ChEMBL ID | CHEMBL310569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YODPLRICWXOARC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
667.9
MW (Da)
7.95
ALogP
5
HBA
2
HBD
77.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CH1 | IC50 | = | 110.0 | nM | 6.96 | In vitro cytotoxicity against human ovarian carcinoma cell line CH1 using sulfor... | 10498189 |
| A2780 | IC50 | = | 310.0 | nM | 6.51 | In vitro cytotoxicity against human ovarian carcinoma cell line A2780 using sulf... | 10498189 |
| SK-OV-3 | IC50 | = | 880.0 | nM | 6.06 | 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 |
| 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 |
| 19726112 | 10.1016/j.ejmech.2009.07.029 | Telomerase reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine