| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4528934
Max Phase: Preclinical
Molecular Formula: C20H24O3
Molecular Weight: 312.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cccc(CCCCCCc2ccccc2)c1C(=O)O
Standard InChI: InChI=1S/C20H24O3/c1-23-18-15-9-14-17(19(18)20(21)22)13-8-3-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-12,14-15H,2-3,5,8,10,13H2,1H3,(H,21,22)
Standard InChI Key: VHNNPYCCQIFODV-UHFFFAOYSA-N
Associated Targets(non-human)
Transcription factor SOX-18 84 Activities
COS-7 515 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: 312.41 | Molecular Weight (Monoisotopic): 312.1725 | AlogP: 4.74 | #Rotatable Bonds: 9 |
| Polar Surface Area: 46.53 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.58 | CX Basic pKa: | CX LogP: 5.79 | CX LogD: 2.44 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.68 | Np Likeness Score: 0.19 |
References
| 1. (2018) Inhibitors of sox18 protein activity for treating angiogenesis- and/or lymphangiogenesis-related diseases, |
Source
Source(1):