| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4450783
Max Phase: Preclinical
Molecular Formula: C21H18O3
Molecular Weight: 318.37
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(C)cc(/C=C/c2ccc3ccccc3c2)c1C(=O)O
Standard InChI: InChI=1S/C21H18O3/c1-14-11-18(20(21(22)23)19(12-14)24-2)10-8-15-7-9-16-5-3-4-6-17(16)13-15/h3-13H,1-2H3,(H,22,23)/b10-8+
Standard InChI Key: CXLHZXVUOKUFRF-CSKARUKUSA-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 |
|---|
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 |
|---|
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: 318.37 | Molecular Weight (Monoisotopic): 318.1256 | AlogP: 5.03 | #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: 3.65 | CX Basic pKa: | CX LogP: 5.32 | CX LogD: 1.99 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.69 | Np Likeness Score: 0.19 |
References
| 1. (2018) Inhibitors of sox18 protein activity for treating angiogenesis- and/or lymphangiogenesis-related diseases, |
Source
Source(1):