| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2288421
Max Phase: Preclinical
Molecular Formula: C10H12N4
Molecular Weight: 188.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1cc(C)n(-c2ncccn2)n1
Standard InChI: InChI=1S/C10H12N4/c1-3-9-7-8(2)14(13-9)10-11-5-4-6-12-10/h4-7H,3H2,1-2H3
Standard InChI Key: JUEDEOKSBFKDGL-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 |
|---|
Properties
| Molecular Weight: 188.23 | Molecular Weight (Monoisotopic): 188.1062 | AlogP: 1.53 | #Rotatable Bonds: 2 |
| 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: 2.24 | CX LogP: 1.85 | CX LogD: 1.85 |
| Aromatic Rings: 2 | Heavy Atoms: 14 | QED Weighted: 0.72 | Np Likeness Score: -2.19 |
References
| 1. KONISHI K, KURAGANO T. (1990) Fungicidal Activity of Pyrazolylpyrimidines, 15 (1): [10.1584/jpestics.15.13] |
Source
Source(1):