| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2348121
Max Phase: Preclinical
Molecular Formula: C13H8Cl2N4O2
Molecular Weight: 323.14
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: [N-]=[N+]=Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1
Standard InChI: InChI=1S/C13H8Cl2N4O2/c14-7-1-4-12(20)9(5-7)13(21)17-11-3-2-8(18-19-16)6-10(11)15/h1-6,20H,(H,17,21)
Standard InChI Key: MTXHJPHBWNXBEP-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: 323.14 | Molecular Weight (Monoisotopic): 322.0024 | AlogP: 4.89 | #Rotatable Bonds: 3 |
| Polar Surface Area: 98.09 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.39 | CX Basic pKa: | CX LogP: 4.39 | CX LogD: 3.97 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.48 | 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):