Compound Detail
CHEMBL333021
L-21649 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL333021 |
| Name | L-21649 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | VOYMOBPSYVKQGF-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
2
PK Parameters
11
Publications
1
Known Names
1
Mechanisms
Molecular Properties
404.5
MW (Da)
4.99
ALogP
6
HBA
0
HBD
42.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
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 5 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.52 | 8.2975 | 3.0 | 4 |
| Vascular endothelial growth factor receptor CHEMBL2095227 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 18.0 | % | Rattus norvegicus |
| T1/2 | 5.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of Vascular endothelial growth factor receptor 2 | 12443771 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 ce... | 27894044 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay | 20869793 |
| Vascular endothelial growth factor receptor | IC50 | = | 18.0 | nM | 7.75 | Inhibition of VEGF-stimulated mitogenesis in endothelial cells | 12443771 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of recombinant human GST-fused KDR kinase expressed in insect Sf21 ce... | 27894044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12443771 | 10.1016/s0960-894x(02)00827-2 | Rattus norvegicus | 4 |
| 27894044 | 10.1016/j.ejmech.2016.11.019 | Vascular endothelial growth factor receptor 2 | 2 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | Vascular endothelial growth factor receptor 2 | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | Vascular endothelial growth factor receptor | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | No relevant target | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta) | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | Vascular endothelial growth factor receptor 1 and 2 (Flt-1 and KDR) | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | Vascular endothelial growth factor receptor 2 and 3 (KDR and Flt-4) | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | VEGF-receptor 2 and Fibroblast growth factor receptor 1 | 1 |
| 12443771 | 10.1016/s0960-894x(02)00827-2 | VEGF-receptor 2 and tyrosine-protein kinase SRC | 1 |
| 20869793 | 10.1016/j.ejmech.2010.09.002 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine