Compound Detail
CHEMBL606697
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Basic Information
| ChEMBL ID | CHEMBL606697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXQPGVRJKSLEGY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
391.8
MW (Da)
4.21
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.14 | 6.14 | 729.0 | 1 |
| SK-OV-3 CHEMBL614925 | IC50 | 5.21 | 5.21 | 6111.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 729.0 | nM | 6.14 | Cytotoxicity against human KB/HeLa cells after 48 hrs by XTT assay | 19682911 |
| SK-OV-3 | IC50 | = | 6111.0 | nM | 5.21 | Cytotoxicity against human SKOV3 cells after 48 hrs by XTT assay | 19682911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19682911 | 10.1016/j.bmc.2009.07.048 | NON-PROTEIN TARGET | 1 |
| 19682911 | 10.1016/j.bmc.2009.07.048 | SK-OV-3 | 1 |
| 19682911 | 10.1016/j.bmc.2009.07.048 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine