| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4454499
Max Phase: Preclinical
Molecular Formula: C23H27FN4O3
Molecular Weight: 426.49
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nn2c(O)cc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2c1-c1ccc(F)cc1
Standard InChI: InChI=1S/C23H27FN4O3/c1-14-20(16-5-7-17(24)8-6-16)21-25-18(13-19(29)28(21)26-14)15-9-11-27(12-10-15)22(30)31-23(2,3)4/h5-8,13,15,29H,9-12H2,1-4H3
Standard InChI Key: GGHNXVGKDAGOKZ-UHFFFAOYSA-N
Associated Targets(non-human)
Trpc4 Short transient receptor potential channel 4 (1615 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: 426.49 | Molecular Weight (Monoisotopic): 426.2067 | AlogP: 4.66 | #Rotatable Bonds: 2 |
| Polar Surface Area: 79.96 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.83 | CX Basic pKa: 1.62 | CX LogP: 3.88 | CX LogD: 3.75 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.64 | Np Likeness Score: -1.57 |
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] |
Source
Source(1):