VD 844
AlkaPlorer ID: AK031167
Synonym: '', 'VD 844'
IUPAC Name: N-methyl-N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)formamide
Structure
SMILES: CN(C=O)C1=C2SSC=C2N=C1O
InChI: InChI=1S/C7H6N2O2S2/c1-9(3-10)5-6-4(2-12-13-6)8-7(5)11/h2-3H,1H3,(H,8,11)
InChIKey: BFQVDMXSAODADC-UHFFFAOYSA-N
Reference
NEW ANTIBIOTICS CONTAINING THE 1, 2-DITHIOLO[4, 3-b]PYRROLE RING SYSTEM
PubChem CID: 210870
CAS: 21787-65-5
LOTUS: LTS0212450
NPASS: NPC314555
COCONUT: CNP0232069
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. CB02980 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 214.271
TPSA？: 53.43000000000001
MolLogP？: 1.6076
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 0.5 | ug.mL-1 | 10.1021/acs.jnatprod.9b00321 |
| Homo sapiens | A549 | IC50 | 1340.0 | nM | 10.1021/acs.jnatprod.9b00321 |
| Homo sapiens | Caco-2 | IC50 | 570.0 | nM | 10.1021/acs.jnatprod.9b00321 |
| Homo sapiens | PC-3M | IC50 | 1700.0 | nM | 10.1021/acs.jnatprod.9b00321 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 0.5 | ug.mL-1 | 10.1021/acs.jnatprod.9b00321 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.5 | ug.mL-1 | 10.1021/acs.jnatprod.9b00321 |