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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK053881

Synonym: Marinacarboline B

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

Structure

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

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InChI: InChI=1S/C22H19N3O3/c1-13(26)20-21-17(16-4-2-3-5-18(16)24-21)12-19(25-20)22(28)23-11-10-14-6-8-15(27)9-7-14/h2-9,12,24,27H,10-11H2,1H3,(H,23,28)

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InChIKey: XHHABJFVNYNXCX-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: 373.4120000000001

TPSA？: 95.08

MolLogP？: 3.5968000000000018

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens A549 IC50 37900.0 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 37900.0 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 37900.0 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 15590.0 nM 10.1021/np200399t
Plasmodium falciparum Plasmodium falciparum IC50 16650.0 nM 10.1021/np200399t

Metabolism Information