937-16-6
AlkaPlorer ID: AK050582
Synonym: None
IUPAC Name: methyl 4,5-dibromo-1H-pyrrole-2-carboxylate
Structure
SMILES: COC(=O)C1=CC(Br)=C(Br)N1
InChI: InChI=1S/C6H5Br2NO2/c1-11-6(10)4-2-3(7)5(8)9-4/h2,9H,1H3
InChIKey: ISQWCRSAYRXYRS-UHFFFAOYSA-N
Reference
Antiplasmodial and Cytotoxic Metabolites from the Maltese Sponge<i>Agelas oroides</i><sup>(1)</sup>
PubChem CID: 324097
CAS: 937-16-6
LOTUS: LTS0004038
COCONUT: CNP0238562
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agelas oroides | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 282.919
TPSA？: 42.09
MolLogP？: 2.3263
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania donovani | Leishmania donovani | IC50 | 30.0 | ug.mL-1 | 10.1016/j.bmc.2007.07.032 |
| Plasmodium falciparum | Enoyl-acyl-carrier protein reductase | IC50 | 100.0 | ug.mL-1 | 10.1016/j.bmc.2007.07.032 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 50.0 | ug.mL-1 | 10.1016/j.bmc.2007.07.032 |
| Rattus norvegicus | L6 | IC50 | 90.0 | ug.mL-1 | 10.1016/j.bmc.2007.07.032 |
| Trypanosoma brucei rhodesiense | Trypanosoma brucei rhodesiense | IC50 | 13.3 | ug.mL-1 | 10.1016/j.bmc.2007.07.032 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC50 | 30.0 | ug.mL-1 | 10.1016/j.bmc.2007.07.032 |