| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PROCINOLOL
ID: ALA1159892
Max Phase: Phase
Molecular Formula: C15H23NO2
Molecular Weight: 249.35
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (2): SD 2124-01 | SD-2124-01
Synonyms from Alternative Forms(2):
Canonical SMILES: CC(C)NCC(O)COc1ccccc1C1CC1
Standard InChI: InChI=1S/C15H23NO2/c1-11(2)16-9-13(17)10-18-15-6-4-3-5-14(15)12-7-8-12/h3-6,11-13,16-17H,7-10H2,1-2H3
Standard InChI Key: RTAGQMIEWAAKMO-UHFFFAOYSA-N
Associated Targets(non-human)
Beta-2 adrenergic receptor 182 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: 249.35 | Molecular Weight (Monoisotopic): 249.1729 | AlogP: 2.30 | #Rotatable Bonds: 7 |
| Polar Surface Area: 41.49 | Molecular Species: BASE | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.67 | CX LogP: 2.38 | CX LogD: 0.15 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.78 | Np Likeness Score: -0.33 |
References
| 1. IJzerman AP, Aué GH, Bultsma T, Linschoten MR, Timmerman H.. (1985) Quantitative evaluation of the beta 2-adrenoceptor affinity of phenoxypropanolamines and phenylethanolamines., 28 (9): [PMID:2993621] [10.1021/jm00147a037] |
| 2. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, |
Source
Source(2):