| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4111349
Max Phase: Preclinical
Molecular Formula: C21H27N3O2
Molecular Weight: 353.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccnc(OC[C@H]2CN(CCN3CCc4ccccc43)CCO2)c1
Standard InChI: InChI=1S/C21H27N3O2/c1-17-6-8-22-21(14-17)26-16-19-15-23(12-13-25-19)10-11-24-9-7-18-4-2-3-5-20(18)24/h2-6,8,14,19H,7,9-13,15-16H2,1H3/t19-/m1/s1
Standard InChI Key: XEESQZOHNMFSPW-LJQANCHMSA-N
Associated Targets(non-human)
Serotonin 2b (5-HT2b) receptor 25 Activities
Dopamine D1 receptor 58 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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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: 353.47 | Molecular Weight (Monoisotopic): 353.2103 | AlogP: 2.53 | #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: 6.79 | CX LogP: 3.52 | CX LogD: 3.42 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.80 | Np Likeness Score: -1.51 |
References
| 1. (2015) Morpholino compounds, uses and methods, |
Source
Source(1):