| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4468363
Max Phase: Preclinical
Molecular Formula: C15H17ClN4O
Molecular Weight: 304.78
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(NC1CN2CCC1CC2)c1cc(Cl)cn2ccnc12
Standard InChI: InChI=1S/C15H17ClN4O/c16-11-7-12(14-17-3-6-20(14)8-11)15(21)18-13-9-19-4-1-10(13)2-5-19/h3,6-8,10,13H,1-2,4-5,9H2,(H,18,21)
Standard InChI Key: GJKKYLAFWKQEDD-UHFFFAOYSA-N
Associated Targets(Human)
Serotonin 3a (5-HT3a) receptor 3366 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 304.78 | Molecular Weight (Monoisotopic): 304.1091 | AlogP: 1.81 | #Rotatable Bonds: 2 |
| Polar Surface Area: 49.64 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.48 | CX Basic pKa: 7.85 | CX LogP: 0.81 | CX LogD: 0.23 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.92 | Np Likeness Score: -1.22 |
References
| 1. Vanda D, Zajdel P, Soural M.. (2019) Imidazopyridine-based selective and multifunctional ligands of biological targets associated with psychiatric and neurodegenerative diseases., 181 [PMID:31404862] [10.1016/j.ejmech.2019.111569] |
Source
Source(1):