| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5208734
Max Phase: Preclinical
Molecular Formula: C20H19N3O
Molecular Weight: 317.39
Associated Items:
Representations
Canonical SMILES: Cc1ccc2nc(NCc3ccco3)n(Cc3ccccc3)c2c1
Standard InChI: InChI=1S/C20H19N3O/c1-15-9-10-18-19(12-15)23(14-16-6-3-2-4-7-16)20(22-18)21-13-17-8-5-11-24-17/h2-12H,13-14H2,1H3,(H,21,22)
Standard InChI Key: HAPAJSUBIFPWJG-UHFFFAOYSA-N
Associated Targets(Human)
Short transient receptor potential channel 5 300 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 |
|---|
Properties
| Molecular Weight: 317.39 | Molecular Weight (Monoisotopic): 317.1528 | AlogP: 4.60 | #Rotatable Bonds: 5 |
| Polar Surface Area: 42.99 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.63 | CX LogP: 4.66 | CX LogD: 4.60 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.58 | Np Likeness Score: -1.70 |
References
| 1. Chen L, Zhang Z, Tian H, Jiang S, Ji Y, Liu M, Shen J, Cao Z, Wang K.. (2022) Synthesis of AC1903 analogs as potent transient receptor potential canonical channel 4/5 inhibitors and biological evaluation., 68 [PMID:35653869] [10.1016/j.bmc.2022.116853] |
Source
Source(1):