| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA299668
Max Phase: Preclinical
Molecular Formula: C21H23ClN2
Molecular Weight: 338.88
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCC/N=c1\ccn(Cc2ccccc2)c2cc(Cl)ccc12
Standard InChI: InChI=1S/C21H23ClN2/c1-2-3-7-13-23-20-12-14-24(16-17-8-5-4-6-9-17)21-15-18(22)10-11-19(20)21/h4-6,8-12,14-15H,2-3,7,13,16H2,1H3/b23-20+
Standard InChI Key: QCZNJMNZZBRTHD-BSYVCWPDSA-N
Associated Targets(Human)
Voltage-gated potassium channel subunit Kv1.3 1067 Activities
Sodium channel protein type II alpha subunit 504 Activities
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Associated Targets(non-human)
Sodium channel protein type II alpha subunit 191 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: 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 |
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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: 338.88 | Molecular Weight (Monoisotopic): 338.1550 | AlogP: 5.43 | #Rotatable Bonds: 6 |
| Polar Surface Area: 17.29 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 7.78 | CX LogP: 6.12 | CX LogD: 5.59 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.53 | Np Likeness Score: -0.88 |
References
| 1. Michne WF, Guiles JW, Treasurywala AM, Castonguay LA, Weigelt CA, Oconnor B, Volberg WA, Grant AM, Chadwick CC, Krafte DS.. (1995) Novel inhibitors of potassium ion channels on human T lymphocytes., 38 (11): [PMID:7540207] [10.1021/jm00011a007] |
| 2. Pérez-Medina C, Patel N, Robson M, Lythgoe MF, Arstad E.. (2013) Synthesis and evaluation of a 125I-labeled iminodihydroquinoline-derived tracer for imaging of voltage-gated sodium channels., 23 (18): [PMID:23910595] [10.1016/j.bmcl.2013.07.014] |
| 3. Pérez-Medina C, Patel N, Robson M, Lythgoe MF, Arstad E.. (2013) Synthesis and evaluation of a 125I-labeled iminodihydroquinoline-derived tracer for imaging of voltage-gated sodium channels., 23 (18): [PMID:23910595] [10.1016/j.bmcl.2013.07.014] |
Source
Source(1):