| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4525688
Max Phase: Preclinical
Molecular Formula: C26H23F3N2O5
Molecular Weight: 500.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cn1c(=O)n(CCCO)c(=O)c2c(Cc3ccccc3)c(Oc3cccc(OC(F)(F)F)c3)ccc21
Standard InChI: InChI=1S/C26H23F3N2O5/c1-30-21-11-12-22(35-18-9-5-10-19(16-18)36-26(27,28)29)20(15-17-7-3-2-4-8-17)23(21)24(33)31(25(30)34)13-6-14-32/h2-5,7-12,16,32H,6,13-15H2,1H3
Standard InChI Key: PWTMGKUYTSUJSG-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: Unknown | 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: 500.47 | Molecular Weight (Monoisotopic): 500.1559 | AlogP: 4.36 | #Rotatable Bonds: 8 |
| Polar Surface Area: 82.69 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.23 | CX LogD: 5.23 |
| Aromatic Rings: 4 | Heavy Atoms: 36 | QED Weighted: 0.39 | Np Likeness Score: -0.72 |
References
| 1. Sharma S, Hopkins CR.. (2019) Review of Transient Receptor Potential Canonical (TRPC5) Channel Modulators and Diseases., 62 (17): [PMID:30943030] [10.1021/acs.jmedchem.8b01954] |
| 2. Abdel-Magid AF.. (2016) Potential Treatment for Neuropsychiatry Disorders with TRPC5 Modulators., 7 (6): [PMID:27326323] [10.1021/acsmedchemlett.6b00182] |
Source
Source(1):