| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4441793
Max Phase: Preclinical
Molecular Formula: C15H12O5
Molecular Weight: 272.26
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc(O)c2c(c1)C(c1c(O)cccc1O)OC2=O
Standard InChI: InChI=1S/C15H12O5/c1-7-5-8-12(11(18)6-7)15(19)20-14(8)13-9(16)3-2-4-10(13)17/h2-6,14,16-18H,1H3
Standard InChI Key: AXNRJZYZYVZLFZ-UHFFFAOYSA-N
Associated Targets(non-human)
Globisporangium ultimum 223 Activities
Molecule Features
| Natural Product: Yes | 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 272.26 | Molecular Weight (Monoisotopic): 272.0685 | AlogP: 2.37 | #Rotatable Bonds: 1 |
| Polar Surface Area: 86.99 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.72 | CX Basic pKa: | CX LogP: 3.56 | CX LogD: 3.54 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.69 | Np Likeness Score: 1.18 |
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):