| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5175729
Max Phase: Preclinical
Molecular Formula: C26H26O7
Molecular Weight: 450.49
Associated Items:
Representations
Canonical SMILES: O=C(CCc1ccccc1)O[C@@H]1c2oc(CCc3ccccc3)cc(=O)c2[C@H](O)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C26H26O7/c27-19-15-18(13-11-16-7-3-1-4-8-16)32-25-21(19)22(29)23(30)24(31)26(25)33-20(28)14-12-17-9-5-2-6-10-17/h1-10,15,22-24,26,29-31H,11-14H2/t22-,23+,24+,26-/m0/s1
Standard InChI Key: ARCLLWUQDJXHSC-WSKLTFMVSA-N
Associated Targets(Human)
PDE5A Tclin Phosphodiesterase 5A (5113 Activities)
PDE3A Tclin Phosphodiesterase 3A (3309 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 450.49 | Molecular Weight (Monoisotopic): 450.1679 | AlogP: 2.41 | #Rotatable Bonds: 7 |
| Polar Surface Area: 117.20 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.58 | CX Basic pKa: | CX LogP: 2.57 | CX LogD: 2.57 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.47 | Np Likeness Score: 1.30 |
References
| 1. Fan M, Yang W, He M, Li Y, Peng Z, Wang G.. (2022) Occurrence, synthesis and biological activity of 2-(2-phenyethyl)chromones., 237 [PMID:35472851] [10.1016/j.ejmech.2022.114397] |
Source
Source(1):