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1-Acetyl-β-carboline-3-carboxylic acid; 2-[(1H-Indol-3-yl)ethyl]amide 

AlkaPlorer ID: AK019554

Synonym: Marinacarboline D

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

Structure

SMILES: CC(=O)C1=NC(C(=O)NCCC2=CNC3=CC=CC=C23)=CC2=C1NC1=CC=CC=C12

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InChI: InChI=1S/C24H20N4O2/c1-14(29)22-23-18(17-7-3-5-9-20(17)27-23)12-21(28-22)24(30)25-11-10-15-13-26-19-8-4-2-6-16(15)19/h2-9,12-13,26-27H,10-11H2,1H3,(H,25,30)

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InChIKey: PCOBOAPRWGQQGA-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: 396.4500000000001

TPSA？: 90.64

MolLogP？: 4.372500000000003

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 IC50 15000.0 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 15000.0 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 15000.0 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 3590.0 nM 10.1021/np200399t
Plasmodium falciparum Plasmodium falciparum IC50 5390.0 nM 10.1021/np200399t

Metabolism Information