| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3733170
Max Phase: Preclinical
Molecular Formula: C15H11Cl2N5O
Molecular Weight: 348.19
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1
Standard InChI: InChI=1S/C15H11Cl2N5O/c16-13-7-19-8-14(17)12(13)6-21-22-15(23)9-20-11-3-1-2-10(4-11)5-18/h1-4,6-8,20H,9H2,(H,22,23)/b21-6+
Standard InChI Key: ZYJDNFZAQYGKGA-AERZKKPOSA-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: 348.19 | Molecular Weight (Monoisotopic): 347.0341 | AlogP: 2.82 | #Rotatable Bonds: 5 |
| Polar Surface Area: 90.17 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.69 | CX Basic pKa: 1.37 | CX LogP: 2.10 | CX LogD: 2.10 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.64 | Np Likeness Score: -2.36 |
References
| 1. (2007) Hydrazide compounds, |
Source
Source(1):