| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3809923
Max Phase: Preclinical
Molecular Formula: C13H8F2INO2
Molecular Weight: 375.11
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc(I)cc1F)c1cc(F)ccc1O
Standard InChI: InChI=1S/C13H8F2INO2/c14-7-1-4-12(18)9(5-7)13(19)17-11-3-2-8(16)6-10(11)15/h1-6,18H,(H,17,19)
Standard InChI Key: IGRCFOGPIJEESA-UHFFFAOYSA-N
Associated Targets(non-human)
RAW264.7 28094 Activities
Nuclear factor of activated T-cells, cytoplasmic 1 5 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 |
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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: 375.11 | Molecular Weight (Monoisotopic): 374.9568 | AlogP: 3.53 | #Rotatable Bonds: 2 |
| Polar Surface Area: 49.33 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.65 | CX Basic pKa: | CX LogP: 3.98 | CX LogD: 3.78 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.79 | Np Likeness Score: -2.00 |
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):