| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3908443
Max Phase: Preclinical
Molecular Formula: C26H34N2O2
Molecular Weight: 406.57
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCC(=O)Nc1ccc2c(c1)C(C)(c1ccccc1)CC(C)(C)N2C(C)=O
Standard InChI: InChI=1S/C26H34N2O2/c1-6-7-9-14-24(30)27-21-15-16-23-22(17-21)26(5,20-12-10-8-11-13-20)18-25(3,4)28(23)19(2)29/h8,10-13,15-17H,6-7,9,14,18H2,1-5H3,(H,27,30)
Standard InChI Key: AKCRNEXLYOWYDS-UHFFFAOYSA-N
Associated Targets(Human)
Thyroid stimulating hormone receptor 29986 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: 406.57 | Molecular Weight (Monoisotopic): 406.2620 | AlogP: 6.05 | #Rotatable Bonds: 6 |
| Polar Surface Area: 49.41 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.25 | CX LogD: 5.25 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.59 | Np Likeness Score: -0.45 |
References
| 1. (2015) TSH receptor antagonizing tetrahydroquinoline compounds, |
Source
Source(1):