| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4112090
Max Phase: Preclinical
Molecular Formula: C22H29N3O2
Molecular Weight: 367.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccnc(C)c1OC[C@H]1CN(CCN2CCc3ccccc32)CCO1
Standard InChI: InChI=1S/C22H29N3O2/c1-17-7-9-23-18(2)22(17)27-16-20-15-24(13-14-26-20)11-12-25-10-8-19-5-3-4-6-21(19)25/h3-7,9,20H,8,10-16H2,1-2H3/t20-/m1/s1
Standard InChI Key: HPLSCEVPHLQHEB-HXUWFJFHSA-N
Associated Targets(non-human)
Serotonin 2a (5-HT2a) receptor 280 Activities
Serotonin 2b (5-HT2b) receptor 25 Activities
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Dopamine D4 receptor 24 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: 367.49 | Molecular Weight (Monoisotopic): 367.2260 | AlogP: 2.84 | #Rotatable Bonds: 6 |
| Polar Surface Area: 37.83 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.04 | CX LogP: 3.05 | CX LogD: 2.89 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.78 | Np Likeness Score: -0.99 |
References
| 1. (2015) Morpholino compounds, uses and methods, |
Source
Source(1):