| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA551969
Max Phase: Preclinical
Molecular Formula: C26H21N3O3
Molecular Weight: 423.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1)c1cccc2cccnc12
Standard InChI: InChI=1S/C26H21N3O3/c1-28(20-6-2-4-15-5-3-13-27-23(15)20)24(30)16-9-11-19(12-10-16)29-25(31)21-17-7-8-18(14-17)22(21)26(29)32/h2-13,17-18,21-22H,14H2,1H3/t17-,18+,21-,22+
Standard InChI Key: DCGUPADONWNEFL-VVIORFSUSA-N
Associated Targets(Human)
Proto-oncogene protein Wnt-3 144 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: 423.47 | Molecular Weight (Monoisotopic): 423.1583 | AlogP: 3.82 | #Rotatable Bonds: 3 |
| Polar Surface Area: 70.58 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.37 | CX LogP: 2.82 | CX LogD: 2.82 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.47 | Np Likeness Score: -1.16 |
References
| 1. Lu J, Ma Z, Hsieh JC, Fan CW, Chen B, Longgood JC, Williams NS, Amatruda JF, Lum L, Chen C.. (2009) Structure-activity relationship studies of small-molecule inhibitors of Wnt response., 19 (14): [PMID:19410457] [10.1016/j.bmcl.2009.04.040] |
Source
Source(1):