| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1242948
Max Phase: Preclinical
Molecular Formula: C19H14Cl2O
Molecular Weight: 329.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1ccc(/C=C/C=C/C2=Cc3cc(Cl)ccc3OC2)cc1
Standard InChI: InChI=1S/C19H14Cl2O/c20-17-7-5-14(6-8-17)3-1-2-4-15-11-16-12-18(21)9-10-19(16)22-13-15/h1-12H,13H2/b3-1+,4-2+
Standard InChI Key: ZALYAVWPXQTTDY-ZPUQHVIOSA-N
Associated Targets(Human)
HeLa 62764 Activities
Associated Targets(non-human)
rhinovirus A1B 360 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Enterovirus A71 1246 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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rhinovirus B14 1052 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 |
|---|
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: 329.23 | Molecular Weight (Monoisotopic): 328.0422 | AlogP: 6.04 | #Rotatable Bonds: 3 |
| Polar Surface Area: 9.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.90 | CX LogD: 5.90 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.62 | Np Likeness Score: -0.10 |
References
| 1. Conti C, Desideri N.. (2010) New 4H-chromen-4-one and 2H-chromene derivatives as anti-picornavirus capsid-binders., 18 (17): [PMID:20673722] [10.1016/j.bmc.2010.06.103] |
Source
Source(1):