Compound Detail
CHEMBL2430263
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Basic Information
| ChEMBL ID | CHEMBL2430263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGMYYQGDFNTKKV-UZYVYHOESA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
3.59
ALogP
3
HBA
3
HBD
77.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.03 | 8.03 | 9.4 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.05 | 7.05 | 89.9 | 1 |
| BXPC-3 CHEMBL614530 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
| T-24 CHEMBL614774 | IC50 | 5.45 | 5.45 | 3560.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.17 | 5.17 | 6730.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.11 | 5.11 | 7730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 9.4 | nM | 8.03 | Inhibition of VEGFR2 (unknown origin) | 23999040 |
| Platelet-derived growth factor receptor beta | IC50 | = | 89.9 | nM | 7.05 | Inhibition of PDGFR-beta (unknown origin) | 23999040 |
| BXPC-3 | IC50 | = | 520.0 | nM | 6.28 | Antiproliferative activity against human BxPC3 cells after 72 hrs by MTT assay | 23999040 |
| HT-29 | IC50 | = | 540.0 | nM | 6.27 | Antiproliferative activity against human HT-29 cells after 72 hrs by MTT assay | 23999040 |
| T-24 | IC50 | = | 3560.0 | nM | 5.45 | Antiproliferative activity against human T24 cells after 72 hrs by MTT assay | 23999040 |
| NON-PROTEIN TARGET | IC50 | = | 6730.0 | nM | 5.17 | Antiproliferative activity against human BGC cells after 72 hrs by MTT assay | 23999040 |
| HepG2 | IC50 | = | 7730.0 | nM | 5.11 | Antiproliferative activity against human HepG2 cells after 72 hrs by MTT assay | 23999040 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23999040 | 10.1016/j.bmcl.2013.08.037 | BXPC-3 | 2 |
| 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 | 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