| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA99113
Max Phase: Preclinical
Molecular Formula: C22H24N2O2
Molecular Weight: 348.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN(CC)CCNC(=O)C1=C(c2ccccc2)c2ccccc2C1=O
Standard InChI: InChI=1S/C22H24N2O2/c1-3-24(4-2)15-14-23-22(26)20-19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)21(20)25/h5-13H,3-4,14-15H2,1-2H3,(H,23,26)
Standard InChI Key: RSXASCWSQQMLRZ-UHFFFAOYSA-N
Associated Targets(Human)
Fibroblast growth factor receptor 331 Activities
Platelet-derived growth factor receptor 507 Activities
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Tyrosine-protein kinase SRC 10310 Activities
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 348.45 | Molecular Weight (Monoisotopic): 348.1838 | AlogP: 3.14 | #Rotatable Bonds: 7 |
| Polar Surface Area: 49.41 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.34 | CX LogP: 3.09 | CX LogD: 2.10 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.78 | Np Likeness Score: -0.57 |
References
| 1. Barvian M, Panek R, Lu G, Kraker A, Amar A, Hartl B, Hamby J, Showalter H. (1997) 1-Oxo-3-aryl-1H-indene-2-carboxylic acid derivatives as selective inhibitors of fibroblast growth factor receptor-1 tyrosine kinase, 7 (22): [10.1016/S0960-894X(97)10110-X] |
Source
Source(1):