| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3729313
Max Phase: Preclinical
Molecular Formula: C15H11Cl2F3N4O
Molecular Weight: 391.18
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1c(Cl)cncc1Cl
Standard InChI: InChI=1S/C15H11Cl2F3N4O/c16-12-6-21-7-13(17)11(12)5-23-24-14(25)8-22-10-3-1-2-9(4-10)15(18,19)20/h1-7,22H,8H2,(H,24,25)/b23-5+
Standard InChI Key: WAUCQSJOKJVFBL-MUDSWDHVSA-N
Associated Targets(Human)
GRK2 Tchem G-protein coupled receptor kinase 2 (1019 Activities)
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 391.18 | Molecular Weight (Monoisotopic): 390.0262 | AlogP: 3.97 | #Rotatable Bonds: 5 |
| Polar Surface Area: 66.38 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.69 | CX Basic pKa: 1.65 | CX LogP: 3.12 | CX LogD: 3.12 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.60 | Np Likeness Score: -2.13 |
References
| 1. (2007) Hydrazide compounds, |
Source
Source(1):