| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4449537
Max Phase: Preclinical
Molecular Formula: C20H16O3
Molecular Weight: 304.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc(O)c(C(=O)O)c(/C=C/c2ccc3ccccc3c2)c1
Standard InChI: InChI=1S/C20H16O3/c1-13-10-17(19(20(22)23)18(21)11-13)9-7-14-6-8-15-4-2-3-5-16(15)12-14/h2-12,21H,1H3,(H,22,23)/b9-7+
Standard InChI Key: BKDMHDPUNSRQJE-VQHVLOKHSA-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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 304.35 | Molecular Weight (Monoisotopic): 304.1099 | AlogP: 4.72 | #Rotatable Bonds: 3 |
| Polar Surface Area: 57.53 | Molecular Species: ACID | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.71 | CX Basic pKa: | CX LogP: 5.82 | CX LogD: 2.32 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.69 | Np Likeness Score: 0.41 |
References
| 1. (2018) Inhibitors of sox18 protein activity for treating angiogenesis- and/or lymphangiogenesis-related diseases, |
Source
Source(1):