Compound Detail
CHEMBL91398
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[N+](C)(C)CCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CC[N+](C)(C)C)ccc1C2=O
Basic Information
| ChEMBL ID | CHEMBL91398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZLLJOGIRSBMQN-UHFFFAOYSA-P |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
2.53
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| CH1 CHEMBL614455 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 4.84 | 4.84 | 14500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 440.0 | nM | 6.36 | Cytotoxicity measured in human ovarian cell line A2780 using sulforhodamine B (S... | 10411488 |
| CH1 | IC50 | = | 1300.0 | nM | 5.89 | Cytotoxicity activity was measured in human ovarian cell line CH1 using sulforho... | 10411488 |
| SK-OV-3 | IC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity activity was measured in human ovarian cell line SKOV-3 using sulfo... | 10411488 |
| Telomerase reverse transcriptase | IC50 | = | 14500.0 | nM | 4.84 | Inhibitory activity against telomerase | 10411488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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