| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4870236
Max Phase: Preclinical
Molecular Formula: C19H16FN3O2
Molecular Weight: 337.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)c1c(C)nc2n(Cc3ccc(F)cc3)c3ccccc3n12
Standard InChI: InChI=1S/C19H16FN3O2/c1-12-17(18(24)25-2)23-16-6-4-3-5-15(16)22(19(23)21-12)11-13-7-9-14(20)10-8-13/h3-10H,11H2,1-2H3
Standard InChI Key: USYIPQRONBSQLQ-UHFFFAOYSA-N
Associated Targets(Human)
Transient receptor potential cation channel subfamily M member 2 348 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: 337.35 | Molecular Weight (Monoisotopic): 337.1227 | AlogP: 3.57 | #Rotatable Bonds: 3 |
| Polar Surface Area: 48.53 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.38 | CX LogP: 3.21 | CX LogD: 3.21 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.54 | Np Likeness Score: -1.50 |
References
| 1. Zhao S, Zhang H, Jin H, Cai X, Zhang R, Jin Z, Yang W, Yu P, Zhang L, Liu Z.. (2021) Design, synthesis and biological activities of benzo[d]imidazo[1,2-a]imidazole derivatives as TRPM2-specfic inhibitors., 225 [PMID:34416664] [10.1016/j.ejmech.2021.113750] |
Source
Source(1):