| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4557464
Max Phase: Preclinical
Molecular Formula: C14H10O4
Molecular Weight: 242.23
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cccc2c(=O)c3c(O)cc(O)cc3oc12
Standard InChI: InChI=1S/C14H10O4/c1-7-3-2-4-9-13(17)12-10(16)5-8(15)6-11(12)18-14(7)9/h2-6,15-16H,1H3
Standard InChI Key: KRVDRUAUZUPZQV-UHFFFAOYSA-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 |
|---|
Molecule Features
| Natural Product: Yes | 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: 242.23 | Molecular Weight (Monoisotopic): 242.0579 | AlogP: 2.67 | #Rotatable Bonds: 0 |
| Polar Surface Area: 70.67 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.55 | CX Basic pKa: | CX LogP: 3.52 | CX LogD: 3.28 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.59 | Np Likeness Score: 1.02 |
References
| 1. (2018) Inhibitors of sox18 protein activity for treating angiogenesis- and/or lymphangiogenesis-related diseases, |
Source
Source(1):