| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3787245
Max Phase: Preclinical
Molecular Formula: C26H24N2
Molecular Weight: 364.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c2ccccc2c(CNCCc2c[nH]c3ccccc23)c2ccccc12
Standard InChI: InChI=1S/C26H24N2/c1-18-20-8-2-4-11-23(20)25(24-12-5-3-9-21(18)24)17-27-15-14-19-16-28-26-13-7-6-10-22(19)26/h2-13,16,27-28H,14-15,17H2,1H3
Standard InChI Key: KIYVXUYYKPCZNJ-UHFFFAOYSA-N
Associated Targets(non-human)
Transient receptor potential cation channel subfamily M member 8 202 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 364.49 | Molecular Weight (Monoisotopic): 364.1939 | AlogP: 6.12 | #Rotatable Bonds: 5 |
| Polar Surface Area: 27.82 | Molecular Species: BASE | HBA: 1 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 10.36 | CX LogP: 6.14 | CX LogD: 3.36 |
| Aromatic Rings: 5 | Heavy Atoms: 28 | QED Weighted: 0.29 | Np Likeness Score: -0.23 |
References
| 1. Bertamino A, Ostacolo C, Ambrosino P, Musella S, Di Sarno V, Ciaglia T, Soldovieri MV, Iraci N, Fernandez Carvajal A, de la Torre-Martinez R, Ferrer-Montiel A, Gonzalez Muniz R, Novellino E, Taglialatela M, Campiglia P, Gomez-Monterrey I.. (2016) Tryptamine-Based Derivatives as Transient Receptor Potential Melastatin Type 8 (TRPM8) Channel Modulators., 59 (5): [PMID:26847872] [10.1021/acs.jmedchem.5b01914] |
Source
Source(1):