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name Structure Reference Source Properties Activities Metabolism

{6-methyl-6,11-diazatetracyclo[7.6.1.0²,?.0¹²,¹?]hexadeca-1(15),2,9,12(16),13-pentaen-4-yl}methanol

AlkaPlorer ID: AK020296

Synonym: 'MLS001049075', 'SMR000386913'

IUPAC Name: [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol

Structure

SMILES: CN1C[C@H](CO)C=C2C3=CC=CC4=C3C(=CN4)C[C@H]21

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InChI: InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1

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InChIKey: BIXJFIJYBLJTMK-MEBBXXQBSA-N

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Properties Information

Molecule Weight: 254.333

TPSA？: 39.26

MolLogP？: 2.0299

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 1995.3 nM None
Caenorhabditis elegans Cytoplasmic zinc-finger protein EC50 20605.0 nM None
Caenorhabditis elegans Zinc finger protein mex-5 EC50 53186.0 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 12589.3 nM None
Homo sapiens Cytochrome P450 2D6 Potency 25.1 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 794.3 nM None
Homo sapiens DNA polymerase iota Potency 31622.8 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 15848.9 nM None
Homo sapiens Flap endonuclease 1 Potency 12589.3 nM None
Homo sapiens Geminin Potency 4109.5 nM None
Homo sapiens GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 Potency 44668.4 nM None
Homo sapiens Importin subunit beta-1/Snurportin-1 Potency 112201.8 nM None
Homo sapiens Kallikrein 7 EC50 7723.0 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 50118.7 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 28183.8 nM None
Homo sapiens Lysosomal alpha-glucosidase Potency 35481.3 nM None
Homo sapiens Microtubule-associated protein tau Potency 19952.6 nM None
Homo sapiens Microtubule-associated protein tau Potency 28183.8 nM None
Homo sapiens Microtubule-associated protein tau Potency 31622.8 nM None
Homo sapiens Mu opioid receptor EC50 92470.0 nM None
Homo sapiens Muscleblind-like protein 1 Potency 3981.1 nM None
Homo sapiens Parathyroid hormone receptor Potency 8912.5 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 56234.1 nM None
Homo sapiens Trace amine-associated receptor 1 EC50 7627.0 nM None
Homo sapiens Trace amine-associated receptor 1 IC50 4577.0 nM None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan nM 10.1016/s0960-894x(98)00072-9
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 3662.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 16360.1 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 39810.7 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 2 Potency 3981.1 nM None
Mus musculus Serotonin 2a (5-HT2a) receptor EC50 18.01 nM None
Plasmodium falciparum Plasmodium falciparum Potency 3.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 4147.5 nM None
Rattus norvegicus Serotonin 1 (5-HT1) receptor IC50 15.0 nM 10.1021/jm00403a007
Rattus norvegicus Serotonin 2 (5-HT2) receptor IC50 160.0 nM 10.1021/jm00403a007
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 1995.3 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 35481.3 nM None
Schistosoma mansoni Thioredoxin glutathione reductase Potency 11220.2 nM None
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
None No relevant target EC50 29910.0 nM None
None No relevant target IC50 29910.0 nM None
None Unchecked EC50 69512.0 nM None
None Unchecked EC50 110000.0 nM None
None Unchecked Selectivity ratio 11.0 None 10.1021/jm00403a007

Metabolism Information