34649-21-3
AlkaPlorer ID: AK081662
Synonym: '', '4,5-Dibromopyrrole-2-carboxylic acid'
IUPAC Name: 4,5-dibromo-1H-pyrrole-2-carboxylic acid
Structure
SMILES: O=C(O)C1=CC(Br)=C(Br)N1
InChI: InChI=1S/C5H3Br2NO2/c6-2-1-3(5(9)10)8-4(2)7/h1,8H,(H,9,10)
InChIKey: ZUROCNHARMFRKA-UHFFFAOYSA-N
Reference
Sventrin, a New Bromopyrrole Alkaloid from the Caribbean Sponge <i>Agelas sventres</i>
PubChem CID: 161830
CAS: 34649-21-3
LOTUS: LTS0270147
COCONUT: CNP0157165
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 268.89199999999994
TPSA？: 53.09
MolLogP？: 2.2379
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania donovani | Leishmania donovani | IC50 | 7.9 | ug.mL-1 | 10.1016/j.bmc.2007.07.032 |
| Mus musculus | Splenocyte | Activity | 0.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 13.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 29.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 31.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 39.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 40.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 43.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 50.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 59.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 64.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 70.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 83.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 84.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 99.0 | % | 10.1021/np50064a015 |
| Mus musculus | Splenocyte | Activity | 100.0 | % | 10.1021/np50064a015 |
| 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 | 20.9 | 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 |
| None | ADMET | Activity | 0.0 | % | 10.1021/np50064a015 |
| None | ADMET | Activity | 10.0 | % | 10.1021/np50064a015 |
| None | ADMET | Activity | 12.0 | % | 10.1021/np50064a015 |
| None | ADMET | Activity | 27.0 | % | 10.1021/np50064a015 |
| None | ADMET | Activity | 66.0 | % | 10.1021/np50064a015 |
| None | ADMET | Activity | 80.0 | % | 10.1021/np50064a015 |
| None | ADMET | Activity | 95.0 | % | 10.1021/np50064a015 |
| None | ADMET | Activity | 99.0 | % | 10.1021/np50064a015 |
| None | ADMET | Activity | 100.0 | % | 10.1021/np50064a015 |
| None | ADMET | Activity | 113.0 | % | 10.1021/np50064a015 |