| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Windorphen
ID: ALA5278981
Chembl Id: CHEMBL5278981
Max Phase: Preclinical
Molecular Formula: C17H15ClO3
Molecular Weight: 302.76
Associated Items:
Names and Identifiers
Canonical SMILES: COc1ccc(/C(Cl)=C(/C=O)c2ccc(OC)cc2)cc1
Standard InChI: InChI=1S/C17H15ClO3/c1-20-14-7-3-12(4-8-14)16(11-19)17(18)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3/b17-16+
Standard InChI Key: VNRALGZMXHFBPG-WUKNDPDISA-N
Alternative Forms
Associated Targets(Human)
CTNNB1 Tchem TCF4-CTNNB1 complex (25 Activities)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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 |
|---|
Calculated Properties
| Molecular Weight: 302.76 | Molecular Weight (Monoisotopic): 302.0710 | AlogP: 4.01 | #Rotatable Bonds: 5 |
| Polar Surface Area: 35.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.48 | CX LogD: 3.48 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.48 | Np Likeness Score: 0.06 |
References
| 1. Liu Z, Wang P, Wold EA, Song Q, Zhao C, Wang C, Zhou J.. (2021) Small-Molecule Inhibitors Targeting the Canonical WNT Signaling Pathway for the Treatment of Cancer., 64 (8.0): [PMID:33822624] [10.1021/acs.jmedchem.0c01799] |
Source
Source(1):