| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4435033
Max Phase: Preclinical
Molecular Formula: C20H15ClO3
Molecular Weight: 338.79
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(Cl)cc(/C=C/c2ccc3ccccc3c2)c1C(=O)O
Standard InChI: InChI=1S/C20H15ClO3/c1-24-18-12-17(21)11-16(19(18)20(22)23)9-7-13-6-8-14-4-2-3-5-15(14)10-13/h2-12H,1H3,(H,22,23)/b9-7+
Standard InChI Key: KQSZZXFMEVMBHP-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: 338.79 | Molecular Weight (Monoisotopic): 338.0710 | AlogP: 5.37 | #Rotatable Bonds: 4 |
| Polar Surface Area: 46.53 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.44 | CX Basic pKa: | CX LogP: 5.41 | CX LogD: 2.02 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.65 | Np Likeness Score: -0.11 |
References
| 1. (2018) Inhibitors of sox18 protein activity for treating angiogenesis- and/or lymphangiogenesis-related diseases, |
Source
Source(1):