VD 846
AlkaPlorer ID: AK034029
Synonym: None
IUPAC Name: N-(5-oxo-4H-dithiolo[4,3-b]pyrrol-6-yl)formamide
Structure
SMILES: OC=NC1=C2SSC=C2N=C1O
InChI: InChI=1S/C6H4N2O2S2/c9-2-7-4-5-3(1-11-12-5)8-6(4)10/h1-2H,(H,7,9)(H,8,10)
InChIKey: GXEYRDFCNZTIHI-UHFFFAOYSA-N
Reference
NEW ANTIBIOTICS CONTAINING THE 1, 2-DITHIOLO[4, 3-b]PYRROLE RING SYSTEM
PubChem CID: 168002
CAS: 21787-66-6
NPASS: NPC314736
COCONUT: CNP0301146
{NPAtlas: NPA032746
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Streptomyces sp. CB02980 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 200.244
TPSA？: 65.71000000000001
MolLogP？: 2.2328
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 1.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b00321 |
| Homo sapiens | A549 | IC50 | nan | None | 10.1021/acs.jnatprod.9b00321 |
| Homo sapiens | Caco-2 | IC50 | nan | None | 10.1021/acs.jnatprod.9b00321 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 1.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b00321 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 2.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b00321 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 4.0 | ug.mL-1 | 10.1021/acs.jnatprod.9b00321 |