Compound Detail
CHEMBL248976
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Basic Information
| ChEMBL ID | CHEMBL248976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMGHMXDGEJGPOG-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
5.01
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.77
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.77 | 4.77 | 16970.0 | 1 |
| K562/A02 CHEMBL4296448 | IC50 | 4.55 | 4.55 | 27930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 23.0 | nM | 7.64 | Inhibition of phosphorylated-Kdr after 30 mins | 17869515 |
| K562 | IC50 | = | 16970.0 | nM | 4.77 | Cytotoxicity against human K562 cells after 48 hrs by MTT assay | 28301155 |
| K562/A02 | IC50 | = | 27930.0 | nM | 4.55 | Cytotoxicity against human K562/A02 cells overexpressing P-gp after 48 hrs by MT... | 28301155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28301155 | 10.1021/acs.jmedchem.6b01879 | K562/A02 | 2 |
| 17869515 | 10.1016/j.bmcl.2007.07.077 | Vascular endothelial growth factor receptor 2 | 1 |
| 28301155 | 10.1021/acs.jmedchem.6b01879 | K562 | 1 |
| 28301155 | 10.1021/acs.jmedchem.6b01879 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine