Compound Detail
CHEMBL3657311
IFEBEMTINIB 🧪 Phase II
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🧪 Phase II
COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)N(C)C3)n1
Basic Information
| ChEMBL ID | CHEMBL3657311 |
| Name | IFEBEMTINIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ULMMVBPTWVRPSI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
6
Known Names
7
Indications
1
Mechanisms
Molecular Properties
588.6
MW (Da)
4.59
ALogP
8
HBA
2
HBD
108.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Focal adhesion kinase 1 inhibitor | INHIBITOR | Focal adhesion kinase 1 | ✓ | ✓ |
Indications
Neoplasms Ovarian Neoplasms Carcinoma, Non-Small-Cell Lung Melanoma Pancreatic Neoplasms Small Cell Lung Carcinoma Stomach Neoplasms
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 9.0 | 9.0 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Focal adhesion kinase 1 | IC50 | = | 1.0 | nM | 9.0 | Enzyme Assay: This test uses active PTK2 enzyme (Invitrogen Code PV3832) and pol... | - |
| Focal adhesion kinase 1 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of FAK (unknown origin) | 37974962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37974962 | 10.1039/d3md00324h | Focal adhesion kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine