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1-Acetyl-β-carboline-3-carboxylic acid; [2-(4-Methoxyphenyl)ethyl]amide

AlkaPlorer ID: AK053870

Synonym: Marinacarboline A

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

Structure

SMILES: COC1=CC=C(CCNC(=O)C2=CC3=C(NC4=CC=CC=C43)C(C(C)=O)=N2)C=C1

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InChI: InChI=1S/C23H21N3O3/c1-14(27)21-22-18(17-5-3-4-6-19(17)25-22)13-20(26-21)23(28)24-12-11-15-7-9-16(29-2)10-8-15/h3-10,13,25H,11-12H2,1-2H3,(H,24,28)

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InChIKey: VKJCZWWGRIELQT-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: 387.43900000000014

TPSA？: 84.08

MolLogP？: 3.8998000000000026

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 IC50 24400.0 nM 10.1016/j.ejmech.2021.113688
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 24400.0 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 24400.0 nM 10.1016/j.ejmech.2021.113688
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
Plasmodium falciparum Plasmodium falciparum IC50 1920.0 nM 10.1021/np200399t
Plasmodium falciparum Plasmodium falciparum IC50 36030.0 nM 10.1021/np200399t

Metabolism Information