| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4466158
Max Phase: Preclinical
Molecular Formula: C22H25FN2O4
Molecular Weight: 400.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)Oc1ccc2c(c1Cc1ccc(F)cc1)c(=O)n(CCCO)c(=O)n2C
Standard InChI: InChI=1S/C22H25FN2O4/c1-14(2)29-19-10-9-18-20(17(19)13-15-5-7-16(23)8-6-15)21(27)25(11-4-12-26)22(28)24(18)3/h5-10,14,26H,4,11-13H2,1-3H3
Standard InChI Key: XUMKYAVJJZYABR-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: 400.45 | Molecular Weight (Monoisotopic): 400.1798 | AlogP: 2.60 | #Rotatable Bonds: 7 |
| 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: 3.05 | CX LogD: 3.05 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.66 | Np Likeness Score: -0.93 |
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):