| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2079629
Max Phase: Preclinical
Molecular Formula: C10H15NO
Molecular Weight: 165.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(C[C@@H](C)N)cc1
Standard InChI: InChI=1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3/t8-/m1/s1
Standard InChI Key: NEGYEDYHPHMHGK-MRVPVSSYSA-N
Associated Targets(non-human)
Serotonin (5-HT) receptor 353 Activities
Rattus norvegicus 775804 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: Yes | 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: 165.24 | Molecular Weight (Monoisotopic): 165.1154 | AlogP: 1.58 | #Rotatable Bonds: 3 |
| Polar Surface Area: 35.25 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.04 | CX LogP: 1.65 | CX LogD: -0.85 |
| Aromatic Rings: 1 | Heavy Atoms: 12 | QED Weighted: 0.74 | Np Likeness Score: -0.02 |
References
| 1. Glennon RA, Young R, Benington F, Morin RD.. (1982) Behavioral and serotonin receptor properties of 4-substituted derivatives of the hallucinogen 1-(2,5-dimethoxyphenyl)-2-aminopropane., 25 (10): [PMID:7143352] [10.1021/jm00352a013] |
| 2. Glennon RA, Liebowitz SM, Anderson GM.. (1980) Serotonin receptor affinities of psychoactive phenalkylamine analogues., 23 (3): [PMID:7365744] [10.1021/jm00177a017] |
| 3. Glennon RA, Liebowitz SM, Anderson GM.. (1980) Serotonin receptor affinities of psychoactive phenalkylamine analogues., 23 (3): [PMID:7365744] [10.1021/jm00177a017] |
| 4. Nichols DE, Lloyd DH, Hoffman AJ, Nichols MB, Yim GK.. (1982) Effects of certain hallucinogenic amphetamine analogues on the release of [3H]serotonin from rat brain synaptosomes., 25 (5): [PMID:7086839] [10.1021/jm00347a010] |
| 5. Nichols DE, Lloyd DH, Hoffman AJ, Nichols MB, Yim GK.. (1982) Effects of certain hallucinogenic amphetamine analogues on the release of [3H]serotonin from rat brain synaptosomes., 25 (5): [PMID:7086839] [10.1021/jm00347a010] |
| 6. Glennon RA.. (2017) The 2014 Philip S. Portoghese Medicinal Chemistry Lectureship: The "Phenylalkylaminome" with a Focus on Selected Drugs of Abuse., 60 (7): [PMID:28244748] [10.1021/acs.jmedchem.7b00085] |
Source
Source(1):