| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3248077
Max Phase: Preclinical
Molecular Formula: C24H33NO2
Molecular Weight: 367.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1cc(/C=C/c2ccccc2)cc(CC)c1OCC(O)CNC(C)C
Standard InChI: InChI=1S/C24H33NO2/c1-5-21-14-20(13-12-19-10-8-7-9-11-19)15-22(6-2)24(21)27-17-23(26)16-25-18(3)4/h7-15,18,23,25-26H,5-6,16-17H2,1-4H3/b13-12+
Standard InChI Key: NTTBVFIBUPFHRM-OUKQBFOZSA-N
Associated Targets(Human)
Adrenergic receptor beta 1214 Activities
Associated Targets(non-human)
Mus musculus 284745 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 367.53 | Molecular Weight (Monoisotopic): 367.2511 | AlogP: 4.72 | #Rotatable Bonds: 10 |
| Polar Surface Area: 41.49 | Molecular Species: BASE | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.67 | CX LogP: 5.85 | CX LogD: 3.62 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.60 | Np Likeness Score: -0.06 |
References
| 1. Cox MT, Jaggers SE, Jones G.. (1978) Linked Aryl Aryloxypropanolamines as a new class of lipid catabolis agents., 21 (2): [PMID:621713] [10.1021/jm00200a008] |
Source
Source(1):