| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4535415
Max Phase: Preclinical
Molecular Formula: C20H22O5
Molecular Weight: 342.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCOc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(O)c1C
Standard InChI: InChI=1S/C20H22O5/c1-5-25-17-11-8-15(20(22)13(17)2)16(21)9-6-14-7-10-18(23-3)19(12-14)24-4/h6-12,22H,5H2,1-4H3/b9-6+
Standard InChI Key: MYMDIYRCTBGOIW-RMKNXTFCSA-N
Associated Targets(Human)
Y79 (258 Activities)
ARPE-19 (321 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 342.39 | Molecular Weight (Monoisotopic): 342.1467 | AlogP: 4.01 | #Rotatable Bonds: 7 |
| Polar Surface Area: 64.99 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.54 | CX Basic pKa: | CX LogP: 4.63 | CX LogD: 4.40 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.61 | Np Likeness Score: 0.17 |
References
| 1. Schwikkard S, Whitmore H, Sishtla K, Sulaiman RS, Shetty T, Basavarajappa HD, Waller C, Alqahtani A, Frankemoelle L, Chapman A, Crouch N, Wetschnig W, Knirsch W, Andriantiana J, Mas-Claret E, Langat MK, Mulholland D, Corson TW.. (2019) The Antiangiogenic Activity of Naturally Occurring and Synthetic Homoisoflavonoids from the Hyacinthaceae ( sensu APGII)., 82 (5): [PMID:30951308] [10.1021/acs.jnatprod.8b00989] |
Source
Source(1):