Compound Detail
CHEMBL406381
KRN-633 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL406381 |
| Name | KRN-633 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | VPBYZLCHOKSGRX-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names
1
Mechanisms
Molecular Properties
416.9
MW (Da)
4.62
ALogP
6
HBA
2
HBD
94.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Vascular endothelial growth factor receptor inhibitor | INHIBITOR | Vascular endothelial growth factor receptor | ✓ | ✓ |
Activity Summary
IC50 7 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 9.0 | 7.885 | 1.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 9.0 | 7.9 | 1.0 | 2 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 5.36 | 5.36 | 4330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human VEGFR1 in HUVEC cells | 18077363 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human VEGFR2 in HUVEC cells | 18077363 |
| Vascular endothelial growth factor receptor 3 | IC50 | = | 125.0 | nM | 6.9 | Inhibition of VEGFR3 | 18077363 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of VEGFR2 | 18077363 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of VEGFR1 | 18077363 |
| Platelet-derived growth factor receptor alpha | IC50 | = | 970.0 | nM | 6.01 | Inhibition of PDGFRalpha | 18077363 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 4330.0 | nM | 5.36 | Inhibition of c-kit | 18077363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18077363 | 10.1073/pnas.0708800104 | Vascular endothelial growth factor receptor 2 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase 26 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Ribosomal protein S6 kinase alpha-3 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 18077363 | 10.1073/pnas.0708800104 | Vascular endothelial growth factor receptor 1 | 2 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type 1D | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type 1G | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Mast/stem cell growth factor receptor Kit | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit beta | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit delta | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type II subunit gamma | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase type IV | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Calcium/calmodulin-dependent protein kinase kinase 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase 2 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Platelet-derived growth factor receptor alpha | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Cyclin-dependent kinase-like 1 | 1 |
| 18077363 | 10.1073/pnas.0708800104 | Serine/threonine-protein kinase Chk2 | 1 |
Data from ChEMBL 36 via Core Engine