| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4855031
Max Phase: Preclinical
Molecular Formula: C15H9ClF4O3
Molecular Weight: 348.68
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cccc(COc2ccc(C(F)(F)F)cc2Cl)c1F
Standard InChI: InChI=1S/C15H9ClF4O3/c16-11-6-9(15(18,19)20)4-5-12(11)23-7-8-2-1-3-10(13(8)17)14(21)22/h1-6H,7H2,(H,21,22)
Standard InChI Key: TWOXPNAILYKJPT-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: 348.68 | Molecular Weight (Monoisotopic): 348.0176 | AlogP: 4.78 | #Rotatable Bonds: 4 |
| Polar Surface Area: 46.53 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.25 | CX Basic pKa: | CX LogP: 4.82 | CX LogD: 1.39 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.81 | Np Likeness Score: -1.25 |
References
| 1. (2020) Modulators of mas-related g-protein receptor x4 and related products and methods, |
Source
Source(1):