| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3732113
Max Phase: Preclinical
Molecular Formula: C15H13Cl2N5O2
Molecular Weight: 366.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)c1ccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)cc1
Standard InChI: InChI=1S/C15H13Cl2N5O2/c16-12-6-19-7-13(17)11(12)5-21-22-14(23)8-20-10-3-1-9(2-4-10)15(18)24/h1-7,20H,8H2,(H2,18,24)(H,22,23)/b21-5+
Standard InChI Key: PQQBVUPQGDSKPT-IGCPIRJNSA-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: 366.21 | Molecular Weight (Monoisotopic): 365.0446 | AlogP: 2.05 | #Rotatable Bonds: 6 |
| Polar Surface Area: 109.47 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.69 | CX Basic pKa: 1.42 | CX LogP: 1.10 | CX LogD: 1.10 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.54 | Np Likeness Score: -1.91 |
References
| 1. (2007) Hydrazide compounds, |
Source
Source(1):