| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4574696
Max Phase: Preclinical
Molecular Formula: C18H14N2O2
Molecular Weight: 290.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Nc1ccc2c(c1)C1c3ccccc3C2C2C(=O)NC(=O)C12
Standard InChI: InChI=1S/C18H14N2O2/c19-8-5-6-11-12(7-8)14-10-4-2-1-3-9(10)13(11)15-16(14)18(22)20-17(15)21/h1-7,13-16H,19H2,(H,20,21,22)
Standard InChI Key: PLOBPQHEVIXYCK-UHFFFAOYSA-N
Associated Targets(Human)
Voltage-gated calcium channel 146 Activities
Associated Targets(non-human)
Ileum 856 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Right atrium 265 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Left atrium 264 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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 |
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Properties
| Molecular Weight: 290.32 | Molecular Weight (Monoisotopic): 290.1055 | AlogP: 1.75 | #Rotatable Bonds: 0 |
| Polar Surface Area: 72.19 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.40 | CX Basic pKa: 4.07 | CX LogP: 1.32 | CX LogD: 1.31 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.57 | Np Likeness Score: 0.03 |
References
| 1. Bisi A, Arribas RL, Micucci M, Budriesi R, Feoli A, Castellano S, Belluti F, Gobbi S, de Los Rios C, Rampa A.. (2019) Polycyclic maleimide-based derivatives as first dual modulators of neuronal calcium channels and GSK-3β for Alzheimer's disease treatment., 163 [PMID:30530190] [10.1016/j.ejmech.2018.12.003] |
Source
Source(1):