Compound Detail
CHEMBL429990
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Basic Information
| ChEMBL ID | CHEMBL429990 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQFQEBQDBPRKHI-QPJJXVBHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
5.42
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NB-4 CHEMBL614188 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| IGROV-1 CHEMBL613984 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NB-4 | IC50 | = | 190.0 | nM | 6.72 | Antiproliferative activity against human NB4 cells after 72 hrs | 17512204 |
| IGROV-1 | IC50 | = | 760.0 | nM | 6.12 | Antiproliferative activity against human IGROV1 cells after 72 hrs | 17512204 |
| NON-PROTEIN TARGET | IC50 | = | 1040.0 | nM | 5.98 | Antiproliferative activity against human cisplatin-resistant IGROV1/Pt1 cells wi... | 17512204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17512204 | 10.1016/j.bmc.2007.04.057 | IGROV-1 | 4 |
| 17512204 | 10.1016/j.bmc.2007.04.057 | NON-PROTEIN TARGET | 1 |
| 17512204 | 10.1016/j.bmc.2007.04.057 | NB-4 | 1 |
Data from ChEMBL 36 via Core Engine