None
AlkaPlorer ID: AK324069
Synonym: None
IUPAC Name: 3-acetyl-N-[4-[acetyl-[3-[(3-acetyl-4,5-dibromo-1H-pyrrole-2-carbonyl)amino]propyl]amino]butyl]-4,5-dibromo-1H-pyrrole-2-carboxamide
Structure
SMILES: CC(=O)C1=C(C(=O)NCCCCN(CCCNC(=O)C2=C(C(C)=O)C(Br)=C(Br)N2)C(C)=O)NC(Br)=C1Br
InChI: InChI=1S/C23H27Br4N5O5/c1-11(33)14-16(24)20(26)30-18(14)22(36)28-7-4-5-9-32(13(3)35)10-6-8-29-23(37)19-15(12(2)34)17(25)21(27)31-19/h30-31H,4-10H2,1-3H3,(H,28,36)(H,29,37)
InChIKey: UHMOUIPLJRDJBO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 773.1149999999999
TPSA？: 144.23
MolLogP？: 4.976600000000004
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | MDL50 | nan | None | 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 | 10000.0 | 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 | nan | None | 10.1021/acs.jnatprod.7b00876 |