| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4472154
Max Phase: Preclinical
Molecular Formula: C19H13ClO3
Molecular Weight: 324.76
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)c1c(O)cc(Cl)cc1/C=C/c1ccc2ccccc2c1
Standard InChI: InChI=1S/C19H13ClO3/c20-16-10-15(18(19(22)23)17(21)11-16)8-6-12-5-7-13-3-1-2-4-14(13)9-12/h1-11,21H,(H,22,23)/b8-6+
Standard InChI Key: QKILBGZKFYFMHM-SOFGYWHQSA-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: 324.76 | Molecular Weight (Monoisotopic): 324.0553 | AlogP: 5.07 | #Rotatable Bonds: 3 |
| Polar Surface Area: 57.53 | Molecular Species: ACID | HBA: 2 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 2.51 | CX Basic pKa: | CX LogP: 5.91 | CX LogD: 2.40 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.66 | Np Likeness Score: 0.12 |
References
| 1. (2018) Inhibitors of sox18 protein activity for treating angiogenesis- and/or lymphangiogenesis-related diseases, |
Source
Source(1):