| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4859261
Max Phase: Preclinical
Molecular Formula: C22H31N5O
Molecular Weight: 381.52
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCN(CC)CCn1c2ccccc2n2c(C(=O)C3CCNCC3)c(C)nc12
Standard InChI: InChI=1S/C22H31N5O/c1-4-25(5-2)14-15-26-18-8-6-7-9-19(18)27-20(16(3)24-22(26)27)21(28)17-10-12-23-13-11-17/h6-9,17,23H,4-5,10-15H2,1-3H3
Standard InChI Key: KTQHJWBEOPAYDC-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: 381.52 | Molecular Weight (Monoisotopic): 381.2529 | AlogP: 3.12 | #Rotatable Bonds: 7 |
| Polar Surface Area: 54.57 | Molecular Species: BASE | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.12 | CX LogP: 1.73 | CX LogD: -2.64 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.64 | Np Likeness Score: -1.24 |
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):