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Tryptamine; Nb-Ac 

AlkaPlorer ID: AK009046

Synonym: Nb-Acetyltryptamine 

IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]acetamide

Structure

SMILES: CC(O)=NCCC1=CNC2=CC=CC=C12

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InChI: InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)

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InChIKey: NVUGEQAEQJTCIX-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 202.257

TPSA？: 48.38

MolLogP？: 2.6868000000000007

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Equus caballus Ferritin light chain Potency 50118.7 nM None
Escherichia coli K-12 Beta-lactamase AmpC Potency 223.9 nM None
Gallus gallus Melatonin receptor Ki 489.78 nM 10.1021/jm960680+
Gallus gallus Melatonin receptor Ki 701.0 nM 10.1016/S0960-894X(01)80565-5
Gallus gallus Melatonin receptor pRA -3.07 None 10.1021/jm9810093
Homo sapiens Bloom syndrome protein Potency 4.5 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 89125.1 nM None
Homo sapiens Chromobox protein homolog 1 Potency 26679.5 nM None
Homo sapiens Cytochrome P450 1A2 AC50 15848.93 nM None
Homo sapiens Cytochrome P450 2C19 AC50 10000.0 nM None
Homo sapiens Cytochrome P450 2C19 Potency 10000.0 nM None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 112.2 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 354.8 nM None
Homo sapiens Flap endonuclease 1 Potency 33587.5 nM None
Homo sapiens Geminin Potency 651.3 nM None
Homo sapiens Histone deacetylase 6 Inhibition 3.06 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 14.13 % 10.6019/CHEMBL4808148
Homo sapiens Melatonin receptor 1A Intrinsic activity 0.54 None 10.1021/jm020982d
Homo sapiens Melatonin receptor 1B Intrinsic activity 0.81 None 10.1021/jm020982d
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 44668.4 nM None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 8912.5 nM None
Homo sapiens Prelamin-A/C Potency 5623.4 nM None
Homo sapiens Pyruvate kinase isozymes M1/M2 Potency 2511.9 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 5011.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 1678.9 nM None
Plasmodium falciparum Plasmodium falciparum Activity 11.3 % 10.1016/j.ejmech.2014.03.055
Plasmodium falciparum Plasmodium falciparum Activity 12.9 % 10.1016/j.ejmech.2014.03.055
Plenodomus lingam Plenodomus lingam GI 7.0 % 10.1021/jf302038a
Plenodomus lingam Plenodomus lingam GI 15.0 % 10.1021/jf302038a
Plenodomus lingam Plenodomus lingam GI nan None 10.1021/jf302038a
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 188.9 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 7.814 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 19.3 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.04 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.11 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 7.75 % 10.21203/rs.3.rs-23951/v1
Trypanosoma brucei 6-phospho-1-fructokinase Potency 33807.8 nM None
Xenopus laevis Xenopus laevis Activity nan None 10.1016/S0960-894X(01)80565-5
None NON-PROTEIN TARGET Potency 11220.2 nM None
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked log1/Ki 2.74 None 10.1021/jm00214a029
None Unchecked Potency 7079.5 nM None
None Unchecked Potency 22387.2 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT002493 CC(=O)NCCc1c[nH]c2ccccc12>>CC(=O)O 67204
AKRT002494 CC(=O)NCCc1c[nH]c2ccccc12>>NCCc1c[nH]c2ccccc12 67204
AKRT004409 CC(=O)[32S].NCCc1c[nH]c2ccccc12>>CC(=O)NCCc1c[nH]c2ccccc12 None
AKRT004647 CC(=O)[CoA].NCCc1c[nH]c2ccccc12>>CC(=O)NCCc1c[nH]c2ccccc12 66196