Molecule

Glimepiride

AlkaPlorer ID: AK318972

Synonym: None

IUPAC Name: 4-ethyl-3-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-5-oxo-2H-pyrrole-1-carboxamide

Structure

SMILES: CCC1=C(C)CN(C(=O)NCCC2=CC=C(S(=O)(=O)NC(=O)NC3CCC(C)CC3)C=C2)C1=O

InChI: InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)

InChIKey: WIGIZIANZCJQQY-UHFFFAOYSA-N

Reference

PubChem CID: 3476

CAS: 29094-61-9

NPASS: NPC194857

COCONUT: CNP0281596.2

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sinapis alba	Sinapis	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Capsicum annuum	Capsicum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Viscum album	Viscum	Viscaceae	Santalales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Viscum coloratum	Viscum	Viscaceae	Santalales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brassica juncea	Brassica	Brassicaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Salvia miltiorrhiza	Salvia	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Zingiber officinale	Zingiber	Zingiberaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Changium smyrnioides	Changium	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Eleutherococcus senticosus	Eleutherococcus	Araliaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Terminalia chebula	Terminalia	Combretaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 490.6260000000003

TPSA？: 124.68

MolLogP？: 3.0740000000000016

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Potency	17740.7	nM	None
Homo sapiens	Beta-glucocerebrosidase	Potency	12589.3	nM	None
Homo sapiens	Cytochrome P450 1A2	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C19	AC50	nan	None	None
Homo sapiens	Cytochrome P450 2C9	AC50	316.23	nM	None
Homo sapiens	Cytochrome P450 2C9	Potency	316.2	nM	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	199.5	nM	None
Homo sapiens	Hypoxia-inducible factor 1 alpha	Potency	7943.3	nM	None
Homo sapiens	Peroxisome proliferator-activated receptor gamma	IC50	nan	None	10.1016/j.bmc.2017.01.015
Rattus norvegicus	Peripheral myelin protein 22	Potency	32196.8	nM	None
None	NON-PROTEIN TARGET	Activity	26.53	%	10.1016/j.bmc.2017.01.015
None	NON-PROTEIN TARGET	Potency	0.7	nM	None
None	NON-PROTEIN TARGET	Potency	2.7	nM	None
None	NON-PROTEIN TARGET	Potency	47.3	nM	None
None	Unchecked	EC50	730.0	nM	10.1016/j.bmc.2017.01.015