| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3638034
Max Phase: Preclinical
Molecular Formula: C19H15NO4
Molecular Weight: 321.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc2c(=O)c3c(n(Cc4ccccc4)c2c1)OCC3=O
Standard InChI: InChI=1S/C19H15NO4/c1-23-13-7-8-14-15(9-13)20(10-12-5-3-2-4-6-12)19-17(18(14)22)16(21)11-24-19/h2-9H,10-11H2,1H3
Standard InChI Key: GUAIXKMHFDVZEQ-UHFFFAOYSA-N
Associated Targets(non-human)
Voltage-dependent L-type calcium channel subunit alpha-1C 242 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: 321.33 | Molecular Weight (Monoisotopic): 321.1001 | AlogP: 2.63 | #Rotatable Bonds: 3 |
| Polar Surface Area: 57.53 | Molecular Species: ACID | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.42 | CX Basic pKa: | CX LogP: 3.22 | CX LogD: 2.06 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.74 | Np Likeness Score: -0.16 |
References
| 1. IC50 data for the L-type calcium channel extracted from a set of literature articles, |
Source
Source(1):