| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3638031
Max Phase: Preclinical
Molecular Formula: C29H33N3O2
Molecular Weight: 455.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc2c(OCC(O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cccc2[nH]1
Standard InChI: InChI=1S/C29H33N3O2/c1-22-19-26-27(30-22)13-8-14-28(26)34-21-25(33)20-31-15-17-32(18-16-31)29(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,19,25,29-30,33H,15-18,20-21H2,1H3
Standard InChI Key: XGYCZQLTMCLJJN-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: 455.60 | Molecular Weight (Monoisotopic): 455.2573 | AlogP: 4.62 | #Rotatable Bonds: 8 |
| Polar Surface Area: 51.73 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.90 | CX LogP: 4.86 | CX LogD: 4.24 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.41 | Np Likeness Score: -0.97 |
References
| 1. IC50 data for the L-type calcium channel extracted from a set of literature articles, |
Source
Source(1):