| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3400585
Max Phase: Preclinical
Molecular Formula: C16H22ClN3O
Molecular Weight: 307.83
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1CCCN1CCN1CCN(c2ccccc2Cl)CC1
Standard InChI: InChI=1S/C16H22ClN3O/c17-14-4-1-2-5-15(14)19-11-8-18(9-12-19)10-13-20-7-3-6-16(20)21/h1-2,4-5H,3,6-13H2
Standard InChI Key: FGKBXCDUKUAWBA-UHFFFAOYSA-N
Associated Targets(Human)
Adrenergic receptor alpha-1 948 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: 307.83 | Molecular Weight (Monoisotopic): 307.1451 | AlogP: 2.08 | #Rotatable Bonds: 4 |
| Polar Surface Area: 26.79 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.62 | CX LogP: 2.00 | CX LogD: 1.94 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.85 | Np Likeness Score: -1.80 |
References
| 1. Zaręba P, Dudek M, Lustyk K, Siwek A, Starowicz G, Bednarski M, Nowiński L, Raźny K, Sapa J, Malawska B, Kulig K.. (2015) α-Adrenoceptor antagonistic and hypotensive properties of novel arylpiperazine derivatives of pyrrolidin-2-one., 23 (9): [PMID:25813897] [10.1016/j.bmc.2015.03.009] |
Source
Source(1):