| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2348124
Max Phase: Preclinical
Molecular Formula: C19H13ClN2O4
Molecular Weight: 368.78
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(-c2ccccc2)ccc1O
Standard InChI: InChI=1S/C19H13ClN2O4/c20-16-11-14(22(25)26)7-8-17(16)21-19(24)15-10-13(6-9-18(15)23)12-4-2-1-3-5-12/h1-11,23H,(H,21,24)
Standard InChI Key: OPCFESYTPXDZHL-UHFFFAOYSA-N
Associated Targets(Human)
Frizzled-1 143 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 368.78 | Molecular Weight (Monoisotopic): 368.0564 | AlogP: 4.87 | #Rotatable Bonds: 4 |
| Polar Surface Area: 92.47 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.34 | CX Basic pKa: | CX LogP: 4.95 | CX LogD: 4.62 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.51 | Np Likeness Score: -1.40 |
References
| 1. Mook RA, Chen M, Lu J, Barak LS, Lyerly HK, Chen W.. (2013) Small molecule modulators of Wnt/β-catenin signaling., 23 (7): [PMID:23453073] [10.1016/j.bmcl.2013.01.101] |
Source
Source(1):