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1-Acetyl-β-carboline-3-carboxylic acid; 2-Phenylethylamide

AlkaPlorer ID: AK044040

Synonym: Marinacarboline C

IUPAC Name: 1-acetyl-N-(2-phenylethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Structure

SMILES: CC(=O)C1=NC(C(=O)NCCC2=CC=CC=C2)=CC2=C1NC1=CC=CC=C12

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InChI: InChI=1S/C22H19N3O2/c1-14(26)20-21-17(16-9-5-6-10-18(16)24-21)13-19(25-20)22(27)23-12-11-15-7-3-2-4-8-15/h2-10,13,24H,11-12H2,1H3,(H,23,27)

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InChIKey: QPUYCBSQXKSFOO-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Marinactinospora Nocardiopsaceae Streptosporangiales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 357.41300000000007

TPSA？: 74.85

MolLogP？: 3.891200000000002

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Candida albicans Candida albicans Activity nan None 10.1021/acs.jnatprod.0c00588
Escherichia coli Escherichia coli Activity nan None 10.1021/acs.jnatprod.0c00588
Homo sapiens A549 Activity 50.0 % 10.1016/j.bmcl.2021.127915
Homo sapiens A549 IC50 37400.0 nM 10.1016/j.ejmech.2021.113688
Homo sapiens A549 IC50 48200.0 nM 10.1016/j.bmcl.2021.127915
Homo sapiens A549 IC50 50000.0 nM 10.1021/np200399t
Homo sapiens DU-145 IC50 50000.0 nM 10.1021/np200399t
Homo sapiens HCT-116 IC50 37400.0 nM 10.1016/j.ejmech.2021.113688
Homo sapiens HeLa IC50 50000.0 nM 10.1021/np200399t
Homo sapiens MCF7 IC50 50000.0 nM 10.1021/np200399t
Homo sapiens MDA-MB-231 IC50 50000.0 nM 10.1021/np200399t
Homo sapiens NCI-H1299 IC50 37400.0 nM 10.1016/j.ejmech.2021.113688
Homo sapiens NCI-H157 Activity 50.0 % 10.1016/j.bmcl.2021.127915
Homo sapiens NCI-H157 IC50 19400.0 nM 10.1016/j.bmcl.2021.127915
Homo sapiens NCI-H460 IC50 50000.0 nM 10.1021/np200399t
Homo sapiens SMMC-7721 IC50 50000.0 nM 10.1021/np200399t
Homo sapiens SW1990 IC50 50000.0 nM 10.1021/np200399t
Homo sapiens U-251 IC50 12000.0 nM 10.1021/acs.jnatprod.0c00588
Homo sapiens U-87 MG IC50 13000.0 nM 10.1021/acs.jnatprod.0c00588
Plasmodium falciparum Plasmodium falciparum IC50 3090.0 nM 10.1021/np200399t
Plasmodium falciparum Plasmodium falciparum IC50 3380.0 nM 10.1021/np200399t
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1021/acs.jnatprod.0c00588

Metabolism Information