| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4462961
Max Phase: Preclinical
Molecular Formula: C10H6Cl2O2
Molecular Weight: 229.06
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1OC(c2ccccc2)C(Cl)=C1Cl
Standard InChI: InChI=1S/C10H6Cl2O2/c11-7-8(12)10(13)14-9(7)6-4-2-1-3-5-6/h1-5,9H
Standard InChI Key: DCZUHULHKRPPLT-UHFFFAOYSA-N
Associated Targets(non-human)
MAC13 45 Activities
MAC16 28 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: Unknown | 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: 229.06 | Molecular Weight (Monoisotopic): 227.9745 | AlogP: 2.97 | #Rotatable Bonds: 1 |
| Polar Surface Area: 26.30 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.26 | CX Basic pKa: | CX LogP: 2.95 | CX LogD: 2.95 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.69 | Np Likeness Score: 0.24 |
References
| 1. Husain A, Khan SA, Iram F, Iqbal MA, Asif M.. (2019) Insights into the chemistry and therapeutic potential of furanones: A versatile pharmacophore., 171 [PMID:30909021] [10.1016/j.ejmech.2019.03.021] |
Source
Source(1):