3,4-Dibromo-1H-pyrrole-2,5-dione
AlkaPlorer ID: AK005322
Synonym: Dibromomaleimide
IUPAC Name: 3,4-dibromopyrrole-2,5-dione
Structure
SMILES: O=C1N=C(O)C(Br)=C1Br
InChI: InChI=1S/C4HBr2NO2/c5-1-2(6)4(9)7-3(1)8/h(H,7,8,9)
InChIKey: BIKSKRPHKQWJCW-UHFFFAOYSA-N
Reference
PubChem CID: 14279
CAS: 1122-10-7
LOTUS: LTS0042994
SuperNatural Ⅲ: SN0026434
NPASS: NPC259861
COCONUT: CNP0148274
{NPAtlas: NPA018539
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pseudoalteromonas | Pseudoalteromonadaceae | Alteromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| None | Axinella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Pseudoalteromonas sp. | Pseudoalteromonas | Pseudoalteromonadaceae | Alteromonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 254.865
TPSA？: 49.66
MolLogP？: 1.4845000000000002
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | MIC | 20000.0 | nM | 10.6019/CHEMBL4513161 |
| Candida albicans | Candida albicans | MIC | 20000.0 | nM | 10.6019/CHEMBL4513161 |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 10000.0 | nM | 10.6019/CHEMBL4513161 |
| Escherichia coli | Escherichia coli | FICI | 0.19 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | FICI | 0.27 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | FICI | 0.31 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | FICI | 0.36 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | FICI | 0.38 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | FICI | 0.5 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | FICI | 0.52 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | FICI | 0.58 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | FICI | 0.75 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | FICI | 1.0 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | FICI | nan | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | Inhibition | nan | % | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | MIC | 2.0 | ug.mL-1 | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | MIC | 8.0 | ug.mL-1 | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | MIC | 31.0 | ug.mL-1 | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | MIC | 32.0 | ug.mL-1 | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | MIC | 64.0 | ug.mL-1 | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | MIC | 128.0 | ug.mL-1 | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | MIC | 256.0 | ug.mL-1 | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | MIC | 20000.0 | nM | 10.6019/CHEMBL4513161 |
| Escherichia coli | Escherichia coli | MIC | nan | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | RFU | 1000.0 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | RFU | 1020.0 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | RFU | 1070.0 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | RFU | 1090.0 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | RFU | 1100.0 | None | 10.1021/np500775e |
| Escherichia coli | Escherichia coli | RFU | 1200.0 | None | 10.1021/np500775e |
| Homo sapiens | HEK293 | CC50 | 3284.0 | nM | 10.6019/CHEMBL4513161 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 20000.0 | nM | 10.6019/CHEMBL4513161 |
| Mus musculus | L1210 | IC50 | 0.66 | ug.mL-1 | 10.1021/np010280b |
| Mus musculus | L1210 | IC50 | 2580.0 | nM | 10.1016/j.bmcl.2022.129102 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 20000.0 | nM | 10.6019/CHEMBL4513161 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | nan | None | 10.1021/np010280b |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 20000.0 | nM | 10.6019/CHEMBL4513161 |
| None | Erythrocyte | HC10 | 20.0 | uM | 10.6019/CHEMBL4513161 |
| None | Unchecked | IC50 | 0.79 | ug.mL-1 | 10.1021/np500775e |
| None | Unchecked | Inhibition | nan | % | 10.1021/np500775e |
| None | Unchecked | RFU | -455.0 | None | 10.1021/np500775e |
| None | Unchecked | RFU | -351.0 | None | 10.1021/np500775e |
| None | Unchecked | RFU | -247.0 | None | 10.1021/np500775e |
| None | Unchecked | RFU | -101.0 | None | 10.1021/np500775e |
| None | Unchecked | RFU | -68.0 | None | 10.1021/np500775e |
| None | Unchecked | RFU | -34.0 | None | 10.1021/np500775e |
| None | Unchecked | RFU | 758.0 | None | 10.1021/np500775e |
| None | Unchecked | RFU | 796.0 | None | 10.1021/np500775e |
| None | Unchecked | RFU | 1010.0 | None | 10.1021/np500775e |
| None | Unchecked | RFU | 1130.0 | None | 10.1021/np500775e |
| None | Unchecked | RFU | 1170.0 | None | 10.1021/np500775e |
| None | Unchecked | RFU | 1200.0 | None | 10.1021/np500775e |