| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2287686
Max Phase: Preclinical
Molecular Formula: C9H15N5O
Molecular Weight: 209.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCNC(=O)c1nc(C)nc(NCC)n1
Standard InChI: InChI=1S/C9H15N5O/c1-4-10-8(15)7-12-6(3)13-9(14-7)11-5-2/h4-5H2,1-3H3,(H,10,15)(H,11,12,13,14)
Standard InChI Key: ZVPXOXXPQJXKIA-UHFFFAOYSA-N
Associated Targets(non-human)
Chloroplast thylakoid membrane protein (psbA) 36 Activities
Cytochrome b6-f complex subunit 4 179 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: 209.25 | Molecular Weight (Monoisotopic): 209.1277 | AlogP: 0.36 | #Rotatable Bonds: 4 |
| 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: 12.51 | CX Basic pKa: 2.94 | CX LogP: 0.95 | CX LogD: 0.95 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.75 | Np Likeness Score: -1.67 |
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):