| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4876296
Max Phase: Preclinical
Molecular Formula: C18H24N4O2
Molecular Weight: 328.42
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCOC(=O)c1cn2c3ccccc3n(CCN(CC)CC)c2n1
Standard InChI: InChI=1S/C18H24N4O2/c1-4-20(5-2)11-12-21-15-9-7-8-10-16(15)22-13-14(19-18(21)22)17(23)24-6-3/h7-10,13H,4-6,11-12H2,1-3H3
Standard InChI Key: IKPAAPRSPVDKTE-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: 328.42 | Molecular Weight (Monoisotopic): 328.1899 | AlogP: 2.81 | #Rotatable Bonds: 7 |
| Polar Surface Area: 51.77 | Molecular Species: BASE | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.91 | CX LogP: 2.57 | CX LogD: 0.10 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.63 | Np Likeness Score: -1.63 |
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):