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ID: ALA2252701
Max Phase: Preclinical
Molecular Formula: C10H8N4OS2
Molecular Weight: 264.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(-c2nnc(-c3snnc3C)o2)s1
Standard InChI: InChI=1S/C10H8N4OS2/c1-5-3-4-7(16-5)9-12-13-10(15-9)8-6(2)11-14-17-8/h3-4H,1-2H3
Standard InChI Key: RIQMDFBJSBTLMT-UHFFFAOYSA-N
Associated Targets(non-human)
Puccinia triticina 278 Activities
Ceratobasidium cereale 139 Activities
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Botryosphaeria berengeriana 484 Activities
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Phytophthora infestans 820 Activities
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Rhizoctonia solani 2251 Activities
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Alternaria solani 773 Activities
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Fusarium oxysporum f. sp. vasinfectum 242 Activities
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Colletotrichum gloeosporioides 560 Activities
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Valsa mali 129 Activities
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Alternaria mali 94 Activities
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Sclerotinia sclerotiorum 877 Activities
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Botrytis cinerea 4183 Activities
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Ustilaginoidea virens 24 Activities
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Fusarium graminearum 1554 Activities
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Mycosphaerella arachidis 441 Activities
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Fusarium oxysporum 3998 Activities
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Fusarium fujikuroi 210 Activities
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Tobacco mosaic virus 2972 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
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Properties
| Molecular Weight: 264.34 | Molecular Weight (Monoisotopic): 264.0140 | AlogP: 2.93 | #Rotatable Bonds: 2 |
| Polar Surface Area: 64.70 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.14 | CX LogD: 2.14 |
| Aromatic Rings: 3 | Heavy Atoms: 17 | QED Weighted: 0.71 | Np Likeness Score: -1.98 |
References
| 1. Fan Z, Shi Z, Zhang H, Liu X, Bao L, Ma L, Zuo X, Zheng Q, Mi N.. (2009) Synthesis and biological activity evaluation of 1,2,3-thiadiazole derivatives as potential elicitors with highly systemic acquired resistance., 57 (10): [PMID:21314199] [10.1021/jf8031364] |
Source
Source(1):