| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3785628
Max Phase: Preclinical
Molecular Formula: C25H26N2O
Molecular Weight: 370.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(CCc1cn(C)c2ccccc12)Cc1ccc(Oc2ccccc2)cc1
Standard InChI: InChI=1S/C25H26N2O/c1-26(17-16-21-19-27(2)25-11-7-6-10-24(21)25)18-20-12-14-23(15-13-20)28-22-8-4-3-5-9-22/h3-15,19H,16-18H2,1-2H3
Standard InChI Key: XPQXULVNJPNTCK-UHFFFAOYSA-N
Associated Targets(non-human)
Transient receptor potential cation channel subfamily A member 1 58 Activities
Transient receptor potential cation channel subfamily V member 1 45 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Transient receptor potential cation channel subfamily M member 8 202 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 370.50 | Molecular Weight (Monoisotopic): 370.2045 | AlogP: 5.65 | #Rotatable Bonds: 7 |
| Polar Surface Area: 17.40 | Molecular Species: BASE | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 9.44 | CX LogP: 5.75 | CX LogD: 3.72 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.42 | Np Likeness Score: -0.95 |
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):