| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2287685
Max Phase: Preclinical
Molecular Formula: C7H11N5O
Molecular Weight: 181.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNC(=O)c1nc(C)nc(NC)n1
Standard InChI: InChI=1S/C7H11N5O/c1-4-10-5(6(13)8-2)12-7(9-3)11-4/h1-3H3,(H,8,13)(H,9,10,11,12)
Standard InChI Key: FWKJCKSTKDVAEV-UHFFFAOYSA-N
Associated Targets(non-human)
Chloroplast thylakoid membrane protein (psbA) 36 Activities
Cytochrome b6-f complex subunit 4 179 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: 181.20 | Molecular Weight (Monoisotopic): 181.0964 | AlogP: -0.42 | #Rotatable Bonds: 2 |
| Polar Surface Area: 79.80 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.39 | CX Basic pKa: 2.97 | CX LogP: 0.25 | CX LogD: 0.25 |
| Aromatic Rings: 1 | Heavy Atoms: 13 | QED Weighted: 0.65 | Np Likeness Score: -1.25 |
References
| 1. Fujimori A, Ikeda Y, Okano R, Hiraki M, Rensen JJSv, Boger P, Kohno H, Wakabayashi K. (2005) Synthesis and Inhibitory Effect on Photosynthetic Electron Transport of 1,3,5-Triazinylcarboxylic Acid Derivatives, 30 (1): [10.1584/jpestics.30.39] |
Source
Source(1):