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name Structure Reference Source Properties Activities Metabolism

1-Acetyl-beta-carboline

AlkaPlorer ID: AK011395

Synonym: '1-(9H-Pyrido3,4-bindol-1-yl)ethanone', '1-acetyl β-carboline', '1-acetyl-beta-carboline', '1-Acetyl-beta-carboline', '1-(9H-pyrido3,4-bindol-1-yl)ethanone', '1-Acetyl beta-Carboline', '1-(9H-beta-carbolin-1-yl)ethanone'

IUPAC Name: 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone

Structure

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

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InChI: InChI=1S/C13H10N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-7,15H,1H3

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InChIKey: NXZSUJKPVSDFNF-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Tedania ignis Tedania Tedaniidae Poecilosclerida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 210.236

TPSA？: 45.75

MolLogP？: 2.9187000000000003

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Artemia Artemia Activity 14.0 % 10.1021/np50076a021
Artemia Artemia Activity 21.0 % 10.1021/np50076a021
Artemia Artemia Activity 43.0 % 10.1021/np50076a021
Artemia Artemia Activity 100.0 % 10.1021/np50076a021
Homo sapiens A549 GI50 40000.0 nM 10.1016/j.bmc.2011.01.034
Homo sapiens A549 IC50 50000.0 nM 10.1021/np200399t
Homo sapiens Casein kinase I epsilon IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Cyclin-dependent kinase 5/CDK5 activator 1 IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens DU-145 GI50 40000.0 nM 10.1016/j.bmc.2011.01.034
Homo sapiens DU-145 IC50 50000.0 nM 10.1021/np200399t
Homo sapiens Dual specificity protein kinase CLK2 IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual specificity protein kinase CLK3 IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual specificity protein kinase CLK4 IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 1A IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual specificity tyrosine-phosphorylation-regulated kinase 1B IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 2 IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual-specificity tyrosine-phosphorylation regulated kinase 3 IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual specificity tyrosine-phosphorylation-regulated kinase 4 IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Dual specificty protein kinase CLK1 IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens Glycogen synthase kinase-3 beta IC50 10000.0 nM 10.1021/acs.jmedchem.2c02068
Homo sapiens HeLa IC50 50000.0 nM 10.1021/np200399t
Homo sapiens KB GI50 40000.0 nM 10.1016/j.bmc.2011.01.034
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-H460 IC50 50000.0 nM 10.1021/np200399t
Homo sapiens Protein-tyrosine phosphatase 1B Inhibition 25.1 % 10.1016/j.bmcl.2015.03.014
Homo sapiens SMMC-7721 IC50 50000.0 nM 10.1021/np200399t
Homo sapiens SW1990 IC50 50000.0 nM 10.1021/np200399t
Mus musculus HT-22 IC50 100000.0 nM 10.1021/acs.jmedchem.2c02068
Mus musculus RAW264.7 Inhibition 0.0 % 10.1016/j.bmc.2011.01.034
Mus musculus RAW264.7 Inhibition 59.0 % 10.1016/j.bmc.2011.01.034
None ADMET TI 1010.0 None 10.1016/j.bmc.2011.01.034
None NON-PROTEIN TARGET CC50 nan None 10.1016/j.bmc.2011.01.034
None NON-PROTEIN TARGET EC50 6650.0 nM 10.1016/j.bmc.2011.01.034
None NON-PROTEIN TARGET GI50 40000.0 nM 10.1016/j.bmc.2011.01.034
None NON-PROTEIN TARGET IC50 5030.0 nM 10.1016/j.bmc.2011.01.034
None NON-PROTEIN TARGET IC50 30000.0 nM 10.1016/j.bmc.2011.01.034

Metabolism Information