| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4562137
Max Phase: Preclinical
Molecular Formula: C20H21FN2O4
Molecular Weight: 372.40
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C
Standard InChI: InChI=1S/C20H21FN2O4/c1-22-16-8-9-17(27-2)15(12-13-4-6-14(21)7-5-13)18(16)19(25)23(20(22)26)10-3-11-24/h4-9,24H,3,10-12H2,1-2H3
Standard InChI Key: KAAXWZBZKKWODH-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: 372.40 | Molecular Weight (Monoisotopic): 372.1485 | AlogP: 1.82 | #Rotatable Bonds: 6 |
| Polar Surface Area: 73.46 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.28 | CX LogD: 2.28 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.72 | Np Likeness Score: -0.76 |
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):