| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4573553
Max Phase: Preclinical
Molecular Formula: C13H4N8O2S
Molecular Weight: 336.30
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1c(-c2ccco2)nc2sc3c4nnnn4cnc3n2c1=O
Standard InChI: InChI=1S/C13H4N8O2S/c14-4-6-8(7-2-1-3-23-7)16-13-21(12(6)22)10-9(24-13)11-17-18-19-20(11)5-15-10/h1-3,5H
Standard InChI Key: SZZXZFVLTVJVOD-UHFFFAOYSA-N
Associated Targets(non-human)
Aspergillus flavus 8875 Activities
Aspergillus fumigatus 16427 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Aspergillus niger 16508 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Trichoderma harzianum 66 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: Unknown | 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: 336.30 | Molecular Weight (Monoisotopic): 336.0178 | AlogP: 0.87 | #Rotatable Bonds: 1 |
| Polar Surface Area: 127.27 | Molecular Species: NEUTRAL | HBA: 11 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.55 | CX LogD: 0.55 |
| Aromatic Rings: 5 | Heavy Atoms: 24 | QED Weighted: 0.44 | Np Likeness Score: -2.20 |
References
| 1. Wang SQ, Wang YF, Xu Z.. (2019) Tetrazole hybrids and their antifungal activities., 170 [PMID:30904780] [10.1016/j.ejmech.2019.03.023] |
Source
Source(1):