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name Structure Reference Source Properties Activities Metabolism

5-methyl-N-(pyridin-3-yl)-2H,3H-pyrrolo[2,3-f]indole-1-carboxamide

AlkaPlorer ID: AK148282

Synonym: None

IUPAC Name: 1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide

Structure

SMILES: CN1C=CC2=CC3=C(C=C21)CCN3C(=O)NC1=CC=CN=C1

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InChI: InChI=1S/C17H16N4O/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22)

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InChIKey: QJQORSLQNXDVGE-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 292.342

TPSA？: 50.16

MolLogP？: 3.1679000000000004

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cavia porcellus Histamine H1 receptor Ki 10000.0 nM 10.1021/jm00014a004
Cavia porcellus Serotonin 1d (5-HT1d) receptor Ki 1000.0 nM 10.1021/jm00014a004
Homo sapiens Anandamide amidohydrolase Inhibition 17.97 % 10.1016/j.bmcl.2009.09.086
Homo sapiens Ataxin-2 Potency 5011.9 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 3262.9 nM None
Homo sapiens Cellular tumor antigen p53 Potency 10000.0 nM None
Homo sapiens Cellular tumor antigen p53 Potency 12589.3 nM None
Homo sapiens Cerebroside-sulfatase Potency 19011.5 nM None
Homo sapiens Chromobox protein homolog 1 Potency 39810.7 nM None
Homo sapiens Cytochrome P450 19A1 IC50 100000.0 nM 10.1021/jm970424c
Homo sapiens Cytochrome P450 1A2 AC50 3.981 nM None
Homo sapiens Cytochrome P450 1A2 AC50 25.12 nM None
Homo sapiens Cytochrome P450 1A2 IC50 50.0 nM 10.1021/jm970424c
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 IC50 100000.0 nM 10.1021/jm970424c
Homo sapiens Cytochrome P450 2D6 AC50 19952.62 nM None
Homo sapiens Cytochrome P450 2D6 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 2D6 IC50 30000.0 nM 10.1021/jm970424c
Homo sapiens Cytochrome P450 2D6 Potency 19952.6 nM None
Homo sapiens Cytochrome P450 2D6 Potency 31622.8 nM None
Homo sapiens Cytochrome P450 3A4 AC50 7943.28 nM None
Homo sapiens Cytochrome P450 3A4 AC50 12589.25 nM None
Homo sapiens Cytochrome P450 3A4 IC50 100000.0 nM 10.1021/jm970424c
Homo sapiens Cytochrome P450 3A4 Potency 7943.3 nM None
Homo sapiens Cytochrome P450 3A4 Potency 12589.3 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 3981.1 nM None
Homo sapiens Dopamine D1 receptor Potency 4610.6 nM None
Homo sapiens Dopamine D1 receptor Potency 7079.5 nM None
Homo sapiens Dopamine D2 receptor Ki 10000.0 nM 10.1021/jm00014a004
Homo sapiens Dopamine D3 receptor Ki 10000.0 nM 10.1021/jm00014a004
Homo sapiens Flap endonuclease 1 Potency 9466.2 nM None
Homo sapiens Flap endonuclease 1 Potency 21192.3 nM None
Homo sapiens HEK293 Potency 2591.8 nM None
Homo sapiens Histone deacetylase 6 IC50 426.7 nM 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 69.38 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 100.19 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 110.89 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 9466.2 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 12589.3 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 35481.3 nM None
Homo sapiens MAP kinase ERK2 Potency 12589.3 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens Microtubule-associated protein tau Potency 10000.0 nM None
Homo sapiens Microtubule-associated protein tau Potency 28183.8 nM None
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit EC50 1500.0 nM 10.1021/jm2007672
Homo sapiens Neuronal acetylcholine receptor protein alpha-7 subunit FC 8.0 None 10.1021/jm2007672
Homo sapiens Niemann-Pick C1 protein Potency 3662.6 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 10322.5 nM None
Homo sapiens Pyruvate kinase isozymes M1/M2 Potency 6309.6 nM None
Homo sapiens Ras-related protein Rab-9A Potency 3162.3 nM None
Homo sapiens Regulator of G-protein signaling 4 Potency 37685.8 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 2818.4 nM None
Homo sapiens Serotonin 1a (5-HT1a) receptor Ki nan None 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin 1a (5-HT1a) receptor Ki nan None 10.1039/C8MD00204E
Homo sapiens Serotonin 1b (5-HT1b) receptor Ki nan None 10.1039/C8MD00204E
Homo sapiens Serotonin 1e (5-HT1e) receptor Ki 5011.87 nM 10.1021/jm00014a004
Homo sapiens Serotonin 1e (5-HT1e) receptor Ki nan None 10.1039/C8MD00204E
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 1621.81 nM 10.1021/jm00014a004
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 1621.81 nM 10.1021/jm960062t
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 1995.26 nM 10.1021/jm970424c
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki 1995.26 nM 10.1021/jm970741j
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None 10.1039/C8MD00204E
Homo sapiens Serotonin 2b (5-HT2b) receptor Activity nan None 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin 2b (5-HT2b) receptor EC50 13.0 nM 10.1021/acs.jmedchem.0c00424
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 4.3 nM 10.1021/jm100600y
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 12.0 nM 10.1016/j.bmcl.2013.12.024
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 12.02 nM 10.1016/j.bmcl.2013.12.024
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 20.0 nM 10.1021/acs.jnatprod.2c00365
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 21.0 nM 10.1039/C4MD00418C
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 22.2 nM 10.1039/C8MD00204E
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 25.12 nM 10.1021/jm970424c
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki 25.12 nM 10.1021/jm970741j
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 9.4 nM 10.1021/jm401895u
Homo sapiens Serotonin 2c (5-HT2c) receptor Kb 2.3 nM 10.1016/j.ejmech.2018.01.002
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 2.8 nM 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 10.0 nM 10.1021/jm00014a004
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 12.59 nM 10.1021/jm970424c
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 12.59 nM 10.1021/jm970741j
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None 10.1039/C8MD00204E
Homo sapiens Serotonin 2c (5-HT2c) receptor pKb 8.39 None 10.1016/j.ejmech.2020.112149
Homo sapiens Serotonin 2 receptors; 5-HT2a & 5-HT2c Selectivity 160.0 None 10.1021/jm970741j
Homo sapiens Serotonin 2 receptors; 5-HT2a & 5-HT2c Selectivity ratio 160.0 None 10.1021/jm970424c
Homo sapiens Serotonin 3a (5-HT3a) receptor Ki nan None 10.1039/C8MD00204E
Homo sapiens Serotonin 7 (5-HT7) receptor Ki nan None 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin receptor (2b and 2c) Selectivity ratio 2.0 None 10.1021/jm970424c
Homo sapiens Thrombopoietin Potency 1000.0 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 39810.7 nM None
Homo sapiens Vitamin D receptor Potency 100000.0 nM None
Leishmania mexicana Pyruvate kinase Potency 7943.3 nM None
Mus musculus Serotonin 2c (5-HT2c) receptor Ki 10.0 nM 10.1021/jm960062t
Photinus pyralis Luciferin 4-monooxygenase Potency 25118.9 nM None
Rattus norvegicus Adenosine A1 receptor Ki 50118.72 nM 10.1021/jm00014a004
Rattus norvegicus Adrenergic receptor alpha-1 Ki 10000.0 nM 10.1021/jm00014a004
Rattus norvegicus Inositol monophosphatase 1 Potency 28183.8 nM None
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 12589.3 nM None
Rattus norvegicus Rattus norvegicus ID50 5.5 mg.kg-1 10.1021/jm00014a004
Rattus norvegicus Rattus norvegicus ID50 5.5 mg.kg-1 10.1021/jm970424c
Rattus norvegicus Rattus norvegicus ID50 5.5 mg.kg-1 10.1021/jm970741j
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki 10000.0 nM 10.1021/jm00014a004
Rattus norvegicus Serotonin 2a (5-HT2a) receptor Ki 501.19 nM 10.1021/jm960571v
Rattus norvegicus Serotonin 2b (5-HT2b) receptor Kd 3.162 nM 10.1021/jm960571v
Rattus norvegicus Serotonin 2b (5-HT2b) receptor Kd 3.311 nM 10.1021/jm00014a004
Rattus norvegicus Serotonin 2b (5-HT2b) receptor -Log KB 8.48 None 10.1021/jm960062t
Rattus norvegicus Serotonin 2c (5-HT2c) receptor Ki 5.012 nM 10.1021/jm960571v
Rattus norvegicus Serotonin 3 (5-HT3) receptor Ki 10000.0 nM 10.1021/jm00014a004
Rattus norvegicus Serotonin 4 (5-HT4) receptor Ki 5011.87 nM 10.1021/jm00014a004
Rattus norvegicus Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Ratio 489.8 None 10.1021/jm960062t
Rattus norvegicus Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Selectivity ratio 100.0 None 10.1021/jm960571v
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 20596.2 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 9.04 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.13 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 5.82 % 10.21203/rs.3.rs-23951/v1
Trypanosoma brucei 6-phospho-1-fructokinase Potency 11995.5 nM None
None NON-PROTEIN TARGET Potency 53.0 nM None
None NON-PROTEIN TARGET Potency 21117.7 nM None
None Unchecked Potency 41.8 nM None
None Unchecked Potency 166.3 nM None
None Unchecked Potency 1662.6 nM None
None Unchecked Potency 1995.3 nM None
None Unchecked Potency 3548.1 nM None
None Unchecked Potency 5173.5 nM None
None Unchecked Potency 5804.8 nM None
None Unchecked Potency 20931.0 nM None
None Unchecked Potency 39810.7 nM None
None Unchecked Potency 66189.7 nM None
None Unchecked Ratio 3.02 None 10.1021/jm960062t

Metabolism Information