| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3733295
Max Phase: Preclinical
Molecular Formula: C17H18Cl2N4O
Molecular Weight: 365.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)c1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1
Standard InChI: InChI=1S/C17H18Cl2N4O/c1-11(2)12-4-3-5-13(6-12)21-10-17(24)23-22-7-14-15(18)8-20-9-16(14)19/h3-9,11,21H,10H2,1-2H3,(H,23,24)/b22-7+
Standard InChI Key: OANXWCBACGSQKQ-QPJQQBGISA-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: 365.26 | Molecular Weight (Monoisotopic): 364.0858 | AlogP: 4.07 | #Rotatable Bonds: 6 |
| 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: 2.06 | CX LogP: 3.49 | CX LogD: 3.49 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.60 | Np Likeness Score: -1.80 |
References
| 1. (2007) Hydrazide compounds, |
Source
Source(1):