| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4459260
Max Phase: Preclinical
Molecular Formula: C14H14N2O3S
Molecular Weight: 290.34
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1N=C(N2CCCC2)S/C1=C/c1ccc(O)cc1O
Standard InChI: InChI=1S/C14H14N2O3S/c17-10-4-3-9(11(18)8-10)7-12-13(19)15-14(20-12)16-5-1-2-6-16/h3-4,7-8,17-18H,1-2,5-6H2/b12-7+
Standard InChI Key: GZYBOZPAFOMTQK-KPKJPENVSA-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 |
|---|
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: 290.34 | Molecular Weight (Monoisotopic): 290.0725 | AlogP: 2.16 | #Rotatable Bonds: 1 |
| Polar Surface Area: 73.13 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.53 | CX Basic pKa: 0.47 | CX LogP: 1.81 | CX LogD: 1.77 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.78 | Np Likeness Score: -0.99 |
References
| 1. (2018) Inhibitors of sox18 protein activity for treating angiogenesis- and/or lymphangiogenesis-related diseases, |
Source
Source(1):