| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3731835
Max Phase: Preclinical
Molecular Formula: C21H20N4O2
Molecular Weight: 360.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(Oc2cccc(NCC(=O)N/N=C/c3ccncc3)c2)cc1
Standard InChI: InChI=1S/C21H20N4O2/c1-16-5-7-19(8-6-16)27-20-4-2-3-18(13-20)23-15-21(26)25-24-14-17-9-11-22-12-10-17/h2-14,23H,15H2,1H3,(H,25,26)/b24-14+
Standard InChI Key: OCOFWWRLWULHEU-ZVHZXABRSA-N
Associated Targets(Human)
G-protein coupled receptor kinase 2 1019 Activities
Associated Targets(non-human)
Felis catus 3858 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 360.42 | Molecular Weight (Monoisotopic): 360.1586 | AlogP: 3.74 | #Rotatable Bonds: 7 |
| Polar Surface Area: 75.61 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.70 | CX Basic pKa: 4.26 | CX LogP: 3.05 | CX LogD: 3.05 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.50 | Np Likeness Score: -1.89 |
References
| 1. (2007) Hydrazide compounds, |
Source
Source(1):