| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4877594
Max Phase: Preclinical
Molecular Formula: C24H25F3N4O
Molecular Weight: 442.49
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCN(CC)CCn1c2ccccc2n2c(C(=O)c3ccc(C(F)(F)F)cc3)c(C)nc12
Standard InChI: InChI=1S/C24H25F3N4O/c1-4-29(5-2)14-15-30-19-8-6-7-9-20(19)31-21(16(3)28-23(30)31)22(32)17-10-12-18(13-11-17)24(25,26)27/h6-13H,4-5,14-15H2,1-3H3
Standard InChI Key: NWUJZXCPCWQBQO-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: 442.49 | Molecular Weight (Monoisotopic): 442.1980 | AlogP: 5.19 | #Rotatable Bonds: 7 |
| Polar Surface Area: 42.54 | Molecular Species: BASE | HBA: 5 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 9.21 | CX LogP: 4.41 | CX LogD: 2.60 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.37 | Np Likeness Score: -1.49 |
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):