Compound Detail
CHEMBL91898
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O=C(CCN1CCOCC1)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CCN3CCOCC3)ccc1C2=O
Basic Information
| ChEMBL ID | CHEMBL91898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUEBZOGANFYKFH-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
1.78
ALogP
8
HBA
2
HBD
117.3
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.28
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 5300.0 | nM | 5.28 | In vitro cytotoxicity against A2780 ovarian cells using the sulforhodamine B(SRB... | 9822556 |
| A2780 | IC50 | = | 5300.0 | nM | 5.28 | Cytotoxicity measured in human ovarian cell line A2780 using sulforhodamine B (S... | 10411488 |
| CH1 | IC50 | = | 7500.0 | nM | 5.12 | In vitro cytotoxicity against CH1 ovarian cells using the sulforhodamine B(SRB) ... | 9822556 |
| CH1 | IC50 | = | 7500.0 | nM | 5.12 | Cytotoxicity activity was measured in human ovarian cell line CH1 using sulforho... | 10411488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9822556 | 10.1021/jm981067o | DNA polymerase I, thermostable | 3 |
| 9822556 | 10.1021/jm981067o | A2780 | 1 |
| 9822556 | 10.1021/jm981067o | CH1 | 1 |
| 9822556 | 10.1021/jm981067o | SK-OV-3 | 1 |
| 9822556 | 10.1021/jm981067o | Telomerase reverse transcriptase | 1 |
| 10411488 | 10.1021/jm990084q | Telomerase reverse transcriptase | 1 |
| 10411488 | 10.1021/jm990084q | A2780 | 1 |
| 10411488 | 10.1021/jm990084q | CH1 | 1 |
| 10411488 | 10.1021/jm990084q | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine