| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3728097
Max Phase: Preclinical
Molecular Formula: C14H11Cl2N5O3
Molecular Weight: 368.18
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(CNc1cccc([N+](=O)[O-])c1)N/N=C/c1c(Cl)cncc1Cl
Standard InChI: InChI=1S/C14H11Cl2N5O3/c15-12-6-17-7-13(16)11(12)5-19-20-14(22)8-18-9-2-1-3-10(4-9)21(23)24/h1-7,18H,8H2,(H,20,22)/b19-5+
Standard InChI Key: YHJVOUOOTQJUNU-PTXOJBNSSA-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: 368.18 | Molecular Weight (Monoisotopic): 367.0239 | AlogP: 2.86 | #Rotatable Bonds: 6 |
| Polar Surface Area: 109.52 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.69 | CX Basic pKa: 1.27 | CX LogP: 2.19 | CX LogD: 2.19 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.46 | Np Likeness Score: -2.23 |
References
| 1. (2007) Hydrazide compounds, |
Source
Source(1):