ID: ALA3746152
Chembl Id: CHEMBL3746152
PubChem CID: 57339459
Max Phase: Preclinical
Molecular Formula: C26H18ClN3
Molecular Weight: 407.90
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Clc1cccc(C2=NC(c3ccccc3)=NN(c3ccccc3)c3ccccc32)c1
Standard InChI: InChI=1S/C26H18ClN3/c27-21-13-9-12-20(18-21)25-23-16-7-8-17-24(23)30(22-14-5-2-6-15-22)29-26(28-25)19-10-3-1-4-11-19/h1-18H
Standard InChI Key: HABUESJKLQNHHO-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 407.90 | Molecular Weight (Monoisotopic): 407.1189 | AlogP: 6.69 | #Rotatable Bonds: 3 |
| Polar Surface Area: 27.96 | Molecular Species: NEUTRAL | HBA: 3 | HBD: ┄ |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: ┄ | CX Basic pKa: 3.33 | CX LogP: 7.34 | CX LogD: 7.34 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.37 | Np Likeness Score: -0.78 |
| 1. Maqbool M, Mobashir M, Hoda N.. (2016) Pivotal role of glycogen synthase kinase-3: A therapeutic target for Alzheimer's disease., 107 [PMID:26562543] [10.1016/j.ejmech.2015.10.018] |
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