Compound Detail
CHEMBL107707
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+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CC[N+]4(C)CCCCC4)cc2C3=O)CCCCC1.[I-].[I-]
Basic Information
| ChEMBL ID | CHEMBL107707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJKLEMGEKXTKDX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1179972 |
| Active Moiety | CHEMBL1179972 |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
546.7
MW (Da)
4.38
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.73
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CH1 | IC50 | = | 1850.0 | nM | 5.73 | In vitro cytotoxicity against CH1 ovarian cells using the sulforhodamine B(SRB) ... | 9822556 |
| CH1 | IC50 | = | 1850.0 | nM | 5.73 | Concentration required to inhibit CH1-cell growth by 50% | 9703471 |
| SK-OV-3 | IC50 | = | 2200.0 | nM | 5.66 | In vitro cytotoxicity against SKOV-3 ovarian cells using the sulforhodamine B(SR... | 9822556 |
| SK-OV-3 | IC50 | = | 2200.0 | nM | 5.66 | Concentration required to inhibit SKOV-3-cell growth by 50% | 9703471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9822556 | 10.1021/jm981067o | DNA polymerase I, thermostable | 3 |
| 9703471 | 10.1021/jm9801105 | DNA polymerase I, thermostable | 2 |
| 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 |
| 9703471 | 10.1021/jm9801105 | A2780 | 1 |
| 9703471 | 10.1021/jm9801105 | CH1 | 1 |
| 9703471 | 10.1021/jm9801105 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine