Compound Detail
CHEMBL98798
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Basic Information
| ChEMBL ID | CHEMBL98798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRHOGFZRGDIAMT-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
361.2
MW (Da)
4.20
ALogP
5
HBA
0
HBD
53.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.16 | 6.14 | 70.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL4125 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 70.0 | nM | 7.16 | Inhibition of epidermal growth factor receptor (EGF-R) autophosphorylation in A4... | - |
| Epidermal growth factor receptor | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of human EGFR-mediated poly(Glu4Tyr) phosphorylation after 1 hr | 21353546 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of recombinant human VEGFR-2-mediated poly(Glu4Tyr) phosphorylation a... | 21353546 |
| Platelet-derived growth factor receptor beta | IC50 | = | 14800.0 | nM | 4.83 | Inhibition of PDGF-BB induced PDGF-B receptor autophosphorylation in rat mesangi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10117-2 | Platelet-derived growth factor receptor beta | 1 |
| - | 10.1016/S0960-894X(97)10117-2 | Epidermal growth factor receptor | 1 |
| 21033670 | 10.1021/jm1009605 | Calf thymus DNA | 1 |
| 21033670 | 10.1021/jm1009605 | Nucleic Acid | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | Epidermal growth factor receptor | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | Vascular endothelial growth factor receptor 2 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | PC-3 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | HT-29 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | MCF7 | 1 |
| 21353546 | 10.1016/j.bmcl.2011.01.137 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine