Compound Detail
CHEMBL422120
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)Nc1cccc2c1C(=O)c1c(NC(=O)CC[N+](C)(C)C)cccc1C2=O.[I-].[I-]
Basic Information
| ChEMBL ID | CHEMBL422120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOWDYWBZOKZQJH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1185576 |
| Active Moiety | CHEMBL1185576 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
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 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| CH1 CHEMBL614455 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Telomerase reverse transcriptase CHEMBL2916 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 530.0 | nM | 6.28 | In vitro cytotoxicity against A2780 ovarian cells using the sulforhodamine B(SRB... | 9822556 |
| CH1 | IC50 | = | 1400.0 | nM | 5.85 | In vitro cytotoxicity against CH1 ovarian cells using the sulforhodamine B(SRB) ... | 9822556 |
| SK-OV-3 | IC50 | = | 2200.0 | nM | 5.66 | In vitro cytotoxicity against SKOV-3 ovarian cells using the sulforhodamine B(SR... | 9822556 |
| Telomerase reverse transcriptase | IC50 | = | 4400.0 | nM | 5.36 | Inhibitory activity of telomerase was measured using the TRAP assay. | 9822556 |
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 |
Data from ChEMBL 36 via Core Engine