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name Structure Reference Source Properties Activities Metabolism

ethyl 6-bromo-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-1H-indole-3-carboxylate

AlkaPlorer ID: AK341969

Synonym: None

IUPAC Name: ethyl 6-bromo-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-phenylindole-3-carboxylate

Structure

SMILES: CCOC(=O)C1=C(CN2CCN(C)CC2)N(C2=CC=CC=C2)C2=CC(Br)=C(O)C=C12

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InChI: InChI=1S/C23H26BrN3O3/c1-3-30-23(29)22-17-13-21(28)18(24)14-19(17)27(16-7-5-4-6-8-16)20(22)15-26-11-9-25(2)10-12-26/h4-8,13-14,28H,3,9-12,15H2,1-2H3

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InChIKey: BFSYAUDLEXXAIE-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 472.3830000000001

TPSA？: 57.94

MolLogP？: 4.022700000000003

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Beta-glucocerebrosidase Potency 25118.9 nM None
Homo sapiens Geminin Potency 18356.4 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 1995.3 nM None
Homo sapiens Microtubule-associated protein tau Potency 39810.7 nM None
Homo sapiens Protein disulfide-isomerase AC50 23890.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 16360.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 23109.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 1471.6 nM None
Plasmodium falciparum Plasmodium falciparum Potency 2078.7 nM None
None Unchecked Potency 14125.4 nM None

Metabolism Information