| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA578032
Max Phase: Preclinical
Molecular Formula: C27H27NO
Molecular Weight: 381.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(CN(C2CCc3ccccc3C2)C2CC(=O)c3ccccc32)cc1
Standard InChI: InChI=1S/C27H27NO/c1-19-10-12-20(13-11-19)18-28(23-15-14-21-6-2-3-7-22(21)16-23)26-17-27(29)25-9-5-4-8-24(25)26/h2-13,23,26H,14-18H2,1H3
Standard InChI Key: RVQKJSIAXQYDMK-UHFFFAOYSA-N
Associated Targets(non-human)
Mast cell 119 Activities
Rattus norvegicus 775804 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: 381.52 | Molecular Weight (Monoisotopic): 381.2093 | AlogP: 5.68 | #Rotatable Bonds: 4 |
| Polar Surface Area: 20.31 | Molecular Species: BASE | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.62 | CX LogP: 6.27 | CX LogD: 5.02 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.58 | Np Likeness Score: -0.40 |
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):