| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1788212
Max Phase: Preclinical
Molecular Formula: C19H19NO
Molecular Weight: 277.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=CCN1CCc2cccc3c2[C@H]1Cc1cccc(O)c1-3
Standard InChI: InChI=1S/C19H19NO/c1-2-10-20-11-9-13-5-3-7-15-18(13)16(20)12-14-6-4-8-17(21)19(14)15/h2-8,16,21H,1,9-12H2/t16-/m1/s1
Standard InChI Key: AUVXRDCLWMODQH-MRXNPFEDSA-N
Associated Targets(Human)
Dopamine D1 and D2 receptor 197 Activities
Associated Targets(non-human)
Dopamine receptor 1304 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Dopamine D1 receptor 1900 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 277.37 | Molecular Weight (Monoisotopic): 277.1467 | AlogP: 3.70 | #Rotatable Bonds: 2 |
| Polar Surface Area: 23.47 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.71 | CX Basic pKa: 7.50 | CX LogP: 4.13 | CX LogD: 3.77 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.85 | Np Likeness Score: 0.97 |
References
| 1. Neumeyer JL, Gao YG, Kula NS, Baldessarini RJ.. (1991) R and S enantiomers of 11-hydroxy- and 10,11-dihydroxy-N-allylnoraporphine: synthesis and affinity for dopamine receptors in rat brain tissue., 34 (1): [PMID:1671415] [10.1021/jm00105a005] |
Source
Source(1):