| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4529801
Max Phase: Preclinical
Molecular Formula: C18H19N5
Molecular Weight: 305.38
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC1(C)c2ccccc2N(CCc2nnn[nH]2)c2ccccc21
Standard InChI: InChI=1S/C18H19N5/c1-18(2)13-7-3-5-9-15(13)23(12-11-17-19-21-22-20-17)16-10-6-4-8-14(16)18/h3-10H,11-12H2,1-2H3,(H,19,20,21,22)
Standard InChI Key: SDVFRALKYDJJBZ-UHFFFAOYSA-N
Associated Targets(Human)
Potassium channel subfamily K member 2 490 Activities
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 |
|---|
Properties
| Molecular Weight: 305.38 | Molecular Weight (Monoisotopic): 305.1640 | AlogP: 3.22 | #Rotatable Bonds: 3 |
| Polar Surface Area: 57.70 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.99 | CX Basic pKa: 0.03 | CX LogP: 3.63 | CX LogD: 2.08 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.81 | Np Likeness Score: -1.05 |
References
| 1. (2018) Modulation of K2P channels, |
| 2. (2016) Modulation of k2p channels, |
Source
Source(1):