THIOSANGIVAMYCIN
AlkaPlorer ID: AK013162
Synonym: '7H-Pyrrolo2,3-dpyrimidine-5-carboxamide, 4-amino-7-.beta.-D-ribofuranosylthio-', 'Thiosangivamycin', '7H-Pyrrolo2,3-dpyrimidine-5-carbothioamide, 4-amino-7-.beta.-D-ribofuranosyl-', 'SANGIVAMYCIN,-THIO'
IUPAC Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbothioamide
Structure
SMILES: N=C(S)C1=CN(C2OC(CO)C(O)C2O)C2=C1C(N)=NC=N2
InChI: InChI=1S/C12H15N5O4S/c13-9-6-4(10(14)22)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)21-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,22)(H2,13,15,16)
InChIKey: XZOKDXWQSCIKCM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sparsogenes | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 325.3500000000001
TPSA？: 150.5
MolLogP？: -1.1198300000000003
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | MIC | 10000.0 | nM | 10.6019/CHEMBL4296182 |
| Candida albicans | Candida albicans | MIC | 10000.0 | nM | 10.6019/CHEMBL4296182 |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 10000.0 | nM | 10.6019/CHEMBL4296182 |
| Escherichia coli | Escherichia coli | MIC | 10000.0 | nM | 10.6019/CHEMBL4296182 |
| Homo sapiens | HEK293 | CC50 | 521.0 | nM | 10.6019/CHEMBL4296182 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 10000.0 | nM | 10.6019/CHEMBL4296182 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 10000.0 | nM | 10.6019/CHEMBL4296182 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 10000.0 | nM | 10.6019/CHEMBL4296182 |