| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2288438
Max Phase: Preclinical
Molecular Formula: C15H22N4
Molecular Weight: 258.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(C)nc(-n2nc(C)c(CC(C)C)c2C)n1
Standard InChI: InChI=1S/C15H22N4/c1-9(2)7-14-12(5)18-19(13(14)6)15-16-10(3)8-11(4)17-15/h8-9H,7H2,1-6H3
Standard InChI Key: YXKJQAQLYRZVCZ-UHFFFAOYSA-N
Associated Targets(non-human)
Pyricularia oryzae 1832 Activities
Nakataea oryzae 97 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 |
|---|
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: 258.37 | Molecular Weight (Monoisotopic): 258.1844 | AlogP: 3.09 | #Rotatable Bonds: 3 |
| Polar Surface Area: 43.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.30 | CX LogP: 3.10 | CX LogD: 3.10 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.85 | Np Likeness Score: -1.55 |
References
| 1. KONISHI K, KURAGANO T. (1990) Fungicidal Activity of Pyrazolylpyrimidines, 15 (1): [10.1584/jpestics.15.13] |
Source
Source(1):