Compound Detail
CHEMBL2430266
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Basic Information
| ChEMBL ID | CHEMBL2430266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQGKEHCROAPVMW-PYCFMQQDSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
3.90
ALogP
3
HBA
3
HBD
77.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.81 | 7.81 | 15.6 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.76 | 5.76 | 1730.0 | 1 |
| BXPC-3 CHEMBL614530 | IC50 | 5.61 | 5.61 | 2430.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.5 | 5.5 | 3150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2.3 | nM | 8.64 | Inhibition of VEGFR2 (unknown origin) | 23999040 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 4.1 | nM | 8.39 | Inhibition of c-KIT (unknown origin) | 23999040 |
| Platelet-derived growth factor receptor beta | IC50 | = | 15.6 | nM | 7.81 | Inhibition of PDGFR-beta (unknown origin) | 23999040 |
| HT-29 | IC50 | = | 1730.0 | nM | 5.76 | Antiproliferative activity against human HT-29 cells after 72 hrs by MTT assay | 23999040 |
| BXPC-3 | IC50 | = | 2430.0 | nM | 5.61 | Antiproliferative activity against human BxPC3 cells after 72 hrs by MTT assay | 23999040 |
| NON-PROTEIN TARGET | IC50 | = | 3150.0 | nM | 5.5 | Antiproliferative activity against human BGC cells after 72 hrs by MTT assay | 23999040 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23999040 | 10.1016/j.bmcl.2013.08.037 | HT-29 | 1 |
| 23999040 | 10.1016/j.bmcl.2013.08.037 | HepG2 | 1 |
| 23999040 | 10.1016/j.bmcl.2013.08.037 | NON-PROTEIN TARGET | 1 |
| 23999040 | 10.1016/j.bmcl.2013.08.037 | T-24 | 1 |
| 23999040 | 10.1016/j.bmcl.2013.08.037 | BXPC-3 | 1 |
| 23999040 | 10.1016/j.bmcl.2013.08.037 | Mast/stem cell growth factor receptor Kit | 1 |
| 23999040 | 10.1016/j.bmcl.2013.08.037 | Platelet-derived growth factor receptor beta | 1 |
| 23999040 | 10.1016/j.bmcl.2013.08.037 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine