| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1202153
Max Phase: Preclinical
Molecular Formula: C11H16BrNO2
Molecular Weight: 193.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Br.Oc1ccc(C2CCCNC2)cc1O
Standard InChI: InChI=1S/C11H15NO2.BrH/c13-10-4-3-8(6-11(10)14)9-2-1-5-12-7-9;/h3-4,6,9,12-14H,1-2,5,7H2;1H
Standard InChI Key: QSYQTRADRZZDKJ-UHFFFAOYSA-N
Associated Targets(non-human)
Dopamine receptor 1304 Activities
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: 193.25 | Molecular Weight (Monoisotopic): 193.1103 | AlogP: 1.56 | #Rotatable Bonds: 1 |
| Polar Surface Area: 52.49 | Molecular Species: BASE | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.23 | CX Basic pKa: 9.24 | CX LogP: 0.66 | CX LogD: -0.87 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.59 | Np Likeness Score: 0.83 |
References
| 1. Hacksell U, Arvidsson LE, Svensson U, Nilsson JL, Sanchez D, Wikström H, Lindberg P, Hjorth S, Carlsson A.. (1981) 3-Phenylpiperidines. Central dopamine-autoreceptor stimulating activity., 24 (12): [PMID:6796690] [10.1021/jm00144a021] |
Source
Source(1):