| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2115017
Max Phase: Preclinical
Molecular Formula: C18H28N2O3
Molecular Weight: 320.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOc1ccccc1NC(=O)OCCN1C[C@H](C)C[C@@H](C)C1
Standard InChI: InChI=1S/C18H28N2O3/c1-4-22-17-8-6-5-7-16(17)19-18(21)23-10-9-20-12-14(2)11-15(3)13-20/h5-8,14-15H,4,9-13H2,1-3H3,(H,19,21)/t14-,15-/m1/s1
Standard InChI Key: SDVIUVQHUDGVJR-HUUCEWRRSA-N
Associated Targets(non-human)
Serotonin 4 (5-HT4) receptor 653 Activities
Cavia porcellus 23802 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 |
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Properties
| Molecular Weight: 320.43 | Molecular Weight (Monoisotopic): 320.2100 | AlogP: 3.61 | #Rotatable Bonds: 6 |
| Polar Surface Area: 50.80 | Molecular Species: BASE | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.27 | CX Basic pKa: 8.93 | CX LogP: 3.63 | CX LogD: 2.09 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.87 | Np Likeness Score: -1.43 |
References
| 1. Soulier JL, Yang D, Brémont B, Croci T, Guzzi U, Langlois M.. (1997) Arylcarbamate derivatives of 1-piperidineethanol as potent ligands for 5-HT4 receptors., 40 (11): [PMID:9171886] [10.1021/jm960853v] |
Source
Source(1):