| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA567177
Max Phase: Preclinical
Molecular Formula: C21H25N
Molecular Weight: 291.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C1CCCc2ccccc21)C1CCCc2ccccc21
Standard InChI: InChI=1S/C21H25N/c1-22(20-14-6-10-16-8-2-4-12-18(16)20)21-15-7-11-17-9-3-5-13-19(17)21/h2-5,8-9,12-13,20-21H,6-7,10-11,14-15H2,1H3
Standard InChI Key: NVIYTGGIJXHYHM-UHFFFAOYSA-N
Associated Targets(non-human)
Mast cell 119 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: 291.44 | Molecular Weight (Monoisotopic): 291.1987 | AlogP: 5.07 | #Rotatable Bonds: 2 |
| Polar Surface Area: 3.24 | Molecular Species: BASE | HBA: 1 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 9.73 | CX LogP: 5.62 | CX LogD: 3.31 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.75 | Np Likeness Score: -0.36 |
References
| 1. Barlow JW, Walsh JJ.. (2010) Synthesis and evaluation of dimeric 1,2,3,4-tetrahydro-naphthalenylamine and indan-1-ylamine derivatives with mast cell-stabilising and anti-allergic activity., 45 (1): [PMID:19800715] [10.1016/j.ejmech.2009.09.020] |
Source
Source(1):