None
AlkaPlorer ID: AK324070
Synonym: None
IUPAC Name: 4,5-dibromo-N-[4-[3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]propyl-methylamino]butyl]-1H-pyrrole-2-carboxamide
Structure
SMILES: CN(CCCCNC(=O)C1=CC(Br)=C(Br)N1)CCCNC(=O)C1=CC(Br)=C(Br)N1
InChI: InChI=1S/C18H23Br4N5O2/c1-27(8-4-6-24-18(29)14-10-12(20)16(22)26-14)7-3-2-5-23-17(28)13-9-11(19)15(21)25-13/h9-10,25-26H,2-8H2,1H3,(H,23,28)(H,24,29)
InChIKey: JGPNLMWJAIMPFY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 661.0310000000002
TPSA？: 93.02
MolLogP？: 4.654700000000003
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | MDL50 | 160.0 | uM | 10.1021/acs.jnatprod.7b00876 |
| Leishmania amazonensis | Leishmania amazonensis | EC50 | 100000.0 | nM | 10.1021/acs.jnatprod.7b00876 |
| Leishmania infantum | Leishmania infantum | EC50 | 100000.0 | nM | 10.1021/acs.jnatprod.7b00876 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 4000.0 | nM | 10.1021/acs.jnatprod.7b00876 |
| Trypanosoma cruzi | Trypanosoma cruzi | EC50 | 100000.0 | nM | 10.1021/acs.jnatprod.7b00876 |
| None | BMDM | CC50 | nan | None | 10.1021/acs.jnatprod.7b00876 |
| None | Unchecked | Selectivity Index | 35.0 | None | 10.1021/acs.jnatprod.7b00876 |