| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2237184
Max Phase: Preclinical
Molecular Formula: C26H34N2O6
Molecular Weight: 470.57
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCC(=O)N2CCCC(C)C2)cc1
Standard InChI: InChI=1S/C26H34N2O6/c1-6-33-26(31)23-18(4)27-17(3)22(25(30)32-5)24(23)19-9-11-20(12-10-19)34-15-21(29)28-13-7-8-16(2)14-28/h9-12,16,24,27H,6-8,13-15H2,1-5H3
Standard InChI Key: SUCOXVPEAUWHQT-UHFFFAOYSA-N
Associated Targets(non-human)
Voltage-gated L-type calcium channel 1164 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: 470.57 | Molecular Weight (Monoisotopic): 470.2417 | AlogP: 3.29 | #Rotatable Bonds: 7 |
| Polar Surface Area: 94.17 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.41 | CX LogD: 2.41 |
| Aromatic Rings: 1 | Heavy Atoms: 34 | QED Weighted: 0.61 | Np Likeness Score: -0.94 |
References
| 1. Bansal R, Jain P, Calle C, Carron R, Pemberton K, Harvey AL. (2012) Synthesis of a New Series of 4-Aryl-1,4-Dihydropyridines with Calcium Channel Blocking and Vasodilatory Activity, 21 (6): [10.1007/s00044-011-9600-x] |
Source
Source(1):