Compound Detail
CHEMBL3545335
AG-13958 🧪 Phase II
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🧪 Phase II
Cc1cc(C(=O)Nc2cc(Nc3ccc4c(/C=C/c5ccccn5)n[nH]c4c3)ccc2F)n(C)n1
Basic Information
| ChEMBL ID | CHEMBL3545335 |
| Name | AG-13958 |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JXSVVZKPEDIRTN-DHZHZOJOSA-N |
3
Targets
4
Activities
2
Assay Types
2
PK Parameters
0
Publications
2
Known Names
1
Mechanisms
Molecular Properties
467.5
MW (Da)
5.31
ALogP
6
HBA
3
HBD
100.5
PSA (Ų)
0.31
QED
1
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 2 meas. best 8.4
Ki 2 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 10.4 | 10.4 | 0.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.4 | 8.24 | 4.0 | 2 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | Ki | 7.1 | 7.1 | 79.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 712.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 731.54 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 0.04 | nM | 10.4 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| NON-PROTEIN TARGET | IC50 | = | 4.0 | nM | 8.4 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| NON-PROTEIN TARGET | IC50 | = | 8.4 | nM | 8.08 | Antiproliferative activity against VEGF-stimulated human MV522 cells assessed as... | - |
| Fibroblast growth factor receptor 1 | Ki | = | 79.0 | nM | 7.1 | Inhibition of human phosphorylated FGFR1 L457V/C488A/C584S mutant expressed in b... | - |
Data from ChEMBL 36 via Core Engine