| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4109218
Max Phase: Preclinical
Molecular Formula: C23H28N2O3
Molecular Weight: 380.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccccc1OC[C@H]1CN(CC(=O)N2c3ccccc3CC2C)CCO1
Standard InChI: InChI=1S/C23H28N2O3/c1-17-7-3-6-10-22(17)28-16-20-14-24(11-12-27-20)15-23(26)25-18(2)13-19-8-4-5-9-21(19)25/h3-10,18,20H,11-16H2,1-2H3/t18?,20-/m1/s1
Standard InChI Key: HHTOEBWSVPCHMS-ROPPNANJSA-N
Associated Targets(non-human)
Serotonin 1a (5-HT1a) receptor 193 Activities
Serotonin 2b (5-HT2b) receptor 25 Activities
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Alpha-1d adrenergic receptor 7 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: 380.49 | Molecular Weight (Monoisotopic): 380.2100 | AlogP: 3.05 | #Rotatable Bonds: 5 |
| Polar Surface Area: 42.01 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.31 | CX LogP: 3.42 | CX LogD: 3.42 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.80 | Np Likeness Score: -1.31 |
References
| 1. (2015) Morpholino compounds, uses and methods, |
Source
Source(1):