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name Structure Reference Source Properties Activities Metabolism

5-Methyl-1H-Imidazole

AlkaPlorer ID: AK037463

Synonym: 'SMR000568466', 'MLS001065586', '4-Methylimidazole'

IUPAC Name: 5-methyl-1H-imidazole

Structure

SMILES: CC1=CN=CN1

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InChI: InChI=1S/C4H6N2/c1-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)

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InChIKey: XLSZMDLNRCVEIJ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Sophora flavescens Sophora Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 82.106

TPSA？: 28.68

MolLogP？: 0.7181199999999999

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 281.8 nM None
Homo sapiens Androgen Receptor Potency 35481.3 nM None
Homo sapiens Geminin Potency 36.6 nM None
Homo sapiens Glutaminyl-peptide cyclotransferase IC50 110000.0 nM 10.1021/acsmedchemlett.2c00256
Homo sapiens Lymphoblastoid cell Potency 79432.8 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase FKBP5 Activity nan None 10.1021/acs.jmedchem.0c00120
Homo sapiens Peptidyl-prolyl cis-trans isomerase FKBP5 Kd 2900000.0 nM 10.1021/acs.jmedchem.0c00120
Plasmodium falciparum Plasmodium falciparum Potency 16511.3 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014863 Cc1c[nH]cn1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>Cc1cn(P(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cn1 enzymemap_48462
AKRT015072 Cc1cn(P(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cn1>>Cc1c[nH]cn1 enzymemap_48462