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ID: ALA3729453
Max Phase: Preclinical
Molecular Formula: C15H15N5O2
Molecular Weight: 297.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)c1cccc(NCC(=O)N/N=C/c2ccncc2)c1
Standard InChI: InChI=1S/C15H15N5O2/c16-15(22)12-2-1-3-13(8-12)18-10-14(21)20-19-9-11-4-6-17-7-5-11/h1-9,18H,10H2,(H2,16,22)(H,20,21)/b19-9+
Standard InChI Key: FENQBUSSSWWVGH-DJKKODMXSA-N
Associated Targets(Human)
G-protein coupled receptor kinase 2 1019 Activities
G protein-coupled receptor kinase 6 1545 Activities
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G protein-coupled receptor kinase 5 1126 Activities
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Beta-adrenergic receptor kinase 2 257 Activities
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Associated Targets(non-human)
Felis catus 3858 Activities
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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: 297.32 | Molecular Weight (Monoisotopic): 297.1226 | AlogP: 0.74 | #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: 11.70 | CX Basic pKa: 4.26 | CX LogP: -0.11 | CX LogD: -0.11 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.54 | Np Likeness Score: -2.18 |
References
| 1. (2007) Hydrazide compounds, |
Source
Source(1):