| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4579257
Max Phase: Preclinical
Molecular Formula: C21H20O4
Molecular Weight: 336.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(CCc2ccc3ccccc3c2)c(C(=O)O)c(OC)c1
Standard InChI: InChI=1S/C21H20O4/c1-24-18-12-17(20(21(22)23)19(13-18)25-2)10-8-14-7-9-15-5-3-4-6-16(15)11-14/h3-7,9,11-13H,8,10H2,1-2H3,(H,22,23)
Standard InChI Key: QJWSTSXRELWVSI-UHFFFAOYSA-N
Associated Targets(Human)
HEK293 82097 Activities
HepG2 196354 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Transcription factor SOX-18 84 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: 336.39 | Molecular Weight (Monoisotopic): 336.1362 | AlogP: 4.34 | #Rotatable Bonds: 6 |
| Polar Surface Area: 55.76 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.87 | CX Basic pKa: | CX LogP: 4.84 | CX LogD: 1.61 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.73 | Np Likeness Score: 0.35 |
References
| 1. (2018) Inhibitors of sox18 protein activity for treating angiogenesis- and/or lymphangiogenesis-related diseases, |
Source
Source(1):