| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA324057
Max Phase: Preclinical
Molecular Formula: C20H28N4O2
Molecular Weight: 356.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)n1c(=O)n(C(=O)NC2CC3CCCC(C2)N3C)c2ccccc21
Standard InChI: InChI=1S/C20H28N4O2/c1-13(2)23-17-9-4-5-10-18(17)24(20(23)26)19(25)21-14-11-15-7-6-8-16(12-14)22(15)3/h4-5,9-10,13-16H,6-8,11-12H2,1-3H3,(H,21,25)
Standard InChI Key: AJHCSFKCWMDCCD-UHFFFAOYSA-N
Associated Targets(non-human)
Serotonin 4 (5-HT4) receptor 7 Activities
Serotonin 4 (5-HT4) receptor 653 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: 356.47 | Molecular Weight (Monoisotopic): 356.2212 | AlogP: 2.96 | #Rotatable Bonds: 2 |
| Polar Surface Area: 59.27 | Molecular Species: BASE | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.07 | CX LogP: 2.30 | CX LogD: 0.62 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.90 | Np Likeness Score: -0.65 |
References
| 1. Langlois M, Fischmeister R.. (2003) 5-HT4 receptor ligands: applications and new prospects., 46 (3): [PMID:12540230] [10.1021/jm020099f] |
Source
Source(1):