| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA285906
Max Phase: Preclinical
Molecular Formula: C24H28N2
Molecular Weight: 344.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc(CCCCN2C3CCCC2c2c([nH]c4ccccc24)C3)cc1
Standard InChI: InChI=1S/C24H28N2/c1-2-9-18(10-3-1)11-6-7-16-26-19-12-8-15-23(26)24-20-13-4-5-14-21(20)25-22(24)17-19/h1-5,9-10,13-14,19,23,25H,6-8,11-12,15-17H2
Standard InChI Key: OPUKVGUEIVRYRA-UHFFFAOYSA-N
Associated Targets(non-human)
Serotonin 2 (5-HT2) receptor 200 Activities
Dopamine D2 receptor 7893 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: 344.50 | Molecular Weight (Monoisotopic): 344.2252 | AlogP: 5.64 | #Rotatable Bonds: 5 |
| Polar Surface Area: 19.03 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.48 | CX LogP: 5.62 | CX LogD: 4.51 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.59 | Np Likeness Score: -0.27 |
References
| 1. Mewshaw RE, Silverman LS, Mathew RM, Kaiser C, Sherrill RG, Cheng M, Tiffany CW, Karbon EW, Bailey MA, Borosky SA.. (1993) Bridged gamma-carbolines and derivatives possessing selective and combined affinity for 5-HT2 and D2 receptors., 36 (10): [PMID:8496917] [10.1021/jm00062a023] |
Source
Source(1):