| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA36992
Max Phase: Preclinical
Molecular Formula: C24H27FN2
Molecular Weight: 362.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1ccc(CCCCN2C3CCCC2c2c([nH]c4ccccc24)C3)cc1
Standard InChI: InChI=1S/C24H27FN2/c25-18-13-11-17(12-14-18)6-3-4-15-27-19-7-5-10-23(27)24-20-8-1-2-9-21(20)26-22(24)16-19/h1-2,8-9,11-14,19,23,26H,3-7,10,15-16H2
Standard InChI Key: HFDHTQNBCFVPGS-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: 362.49 | Molecular Weight (Monoisotopic): 362.2158 | AlogP: 5.78 | #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: 8.45 | CX LogP: 5.76 | CX LogD: 4.68 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.57 | Np Likeness Score: -0.58 |
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):