Compound Detail
CHEMBL430189
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Basic Information
| ChEMBL ID | CHEMBL430189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQQUFGOEIGXAOM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
1.96
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-15 CHEMBL612263 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-15 | IC50 | = | 7800.0 | nM | 5.11 | Antiproliferative activity against HCT15 cells after 72 hrs by MTT assay | 17658777 |
| NON-PROTEIN TARGET | IC50 | = | 9000.0 | nM | 5.05 | Antiproliferative activity against U373MG cells after 72 hrs by MTT assay | 17658777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17658777 | 10.1021/jm070315q | Mus musculus | 18 |
| 25960324 | 10.1016/j.bmc.2015.04.030 | Nucleic Acid | 9 |
| 25960324 | 10.1016/j.bmc.2015.04.030 | Unchecked | 9 |
| 17658777 | 10.1021/jm070315q | L1210 | 8 |
| 17658777 | 10.1021/jm070315q | NON-PROTEIN TARGET | 2 |
| 17658777 | 10.1021/jm070315q | HCT-15 | 1 |
| 17658777 | 10.1021/jm070315q | LoVo | 1 |
| 17658777 | 10.1021/jm070315q | A549 | 1 |
| 17658777 | 10.1021/jm070315q | MCF7 | 1 |
| 17658777 | 10.1021/jm070315q | Unchecked | 1 |
| 28710962 | 10.1016/j.ejmech.2017.06.066 | WM 266-4 | 1 |
Data from ChEMBL 36 via Core Engine