| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4520445
Max Phase: Preclinical
Molecular Formula: C20H17ClN4
Molecular Weight: 348.84
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc(-c2ccnn2Cc2ccc(Cl)cc2)[nH]c1-c1ccccc1
Standard InChI: InChI=1S/C20H17ClN4/c1-14-19(16-5-3-2-4-6-16)24-20(23-14)18-11-12-22-25(18)13-15-7-9-17(21)10-8-15/h2-12H,13H2,1H3,(H,23,24)
Standard InChI Key: VUYMXKCILHCBQS-UHFFFAOYSA-N
Associated Targets(Human)
MRGPRX4 Tchem Mas-related G-protein coupled receptor member X4 (415 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: 348.84 | Molecular Weight (Monoisotopic): 348.1142 | AlogP: 4.95 | #Rotatable Bonds: 4 |
| Polar Surface Area: 46.50 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.28 | CX Basic pKa: 5.12 | CX LogP: 4.25 | CX LogD: 4.25 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.57 | Np Likeness Score: -1.55 |
References
| 1. (2018) Compositions and methods for treating g protein coupled receptor mediated conditions, |
Source
Source(1):