Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2356332
Max Phase: Preclinical
Molecular Formula: C22H16F2O2
Molecular Weight: 350.36
Molecule Type: Small molecule
Associated Items:
ID: ALA2356332
Max Phase: Preclinical
Molecular Formula: C22H16F2O2
Molecular Weight: 350.36
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(C=Cc1ccc(OCc2ccccc2)cc1)c1c(F)cccc1F
Standard InChI: InChI=1S/C22H16F2O2/c23-19-7-4-8-20(24)22(19)21(25)14-11-16-9-12-18(13-10-16)26-15-17-5-2-1-3-6-17/h1-14H,15H2
Standard InChI Key: HVHROOIVCVTTKV-UHFFFAOYSA-N
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Molecular Weight: 350.36 | Molecular Weight (Monoisotopic): 350.1118 | AlogP: 5.44 | #Rotatable Bonds: 6 |
Polar Surface Area: 26.30 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
#RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.74 | CX LogD: 5.74 |
Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.44 | Np Likeness Score: -0.56 |
1. PubChem BioAssay data set, |
Source(1):