| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3809134
Max Phase: Preclinical
Molecular Formula: C14H6F2INO3
Molecular Weight: 401.11
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1oc2ccc(F)cc2c(=O)n1-c1ccc(I)cc1F
Standard InChI: InChI=1S/C14H6F2INO3/c15-7-1-4-12-9(5-7)13(19)18(14(20)21-12)11-3-2-8(17)6-10(11)16/h1-6H
Standard InChI Key: DXXCIDIQQJAYHM-UHFFFAOYSA-N
Associated Targets(non-human)
RAW264.7 28094 Activities
Nuclear factor of activated T-cells, cytoplasmic 1 5 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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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: 401.11 | Molecular Weight (Monoisotopic): 400.9360 | AlogP: 2.83 | #Rotatable Bonds: 1 |
| Polar Surface Area: 52.21 | Molecular Species: | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.03 | CX LogD: 4.03 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.59 | Np Likeness Score: -1.49 |
References
| 1. Chen CL, Lee CC, Liu FL, Chen TC, Ahmed Ali AA, Chang DM, Huang HS.. (2016) Design, synthesis and SARs of novel salicylanilides as potent inhibitors of RANKL-induced osteoclastogenesis and bone resorption., 117 [PMID:27089213] [10.1016/j.ejmech.2016.04.007] |
Source
Source(1):