3-Ethyl-4-methyl-N-(4-(N-((rel-(1r,4r)-4-methylcyclohexyl)carbamoyl)sulfamoyl)phenethyl)-2-oxo-2,5-d

Introduction

CAS No. :	93479-97-1	MDL No. :	MFCD00878417
Formula :	C24H34N4O5S	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WIGIZIANZCJQQY-UHFFFAOYSA-N
M.W :	490.62	Pubchem ID :	3476
Synonyms :	Glimperide;HOE-490;Roname;Lacer brand of glimepiride;Hoechst brand of glimepiride;Glimepiridum;Glimepirida;Amarel;Amaryl	Chemical Name :	3-Ethyl-4-methyl-N-(4-(N-((rel-(1r,4r)-4-methylcyclohexyl)carbamoyl)sulfamoyl)phenethyl)-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

Physicochemical Properties

Num. heavy atoms :	34
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.54
Num. rotatable bonds :	11
Num. H-bond acceptors :	5.0
Num. H-bond donors :	3.0
Molar Refractivity :	133.31
TPSA :	133.06 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.56 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.42
Log Po/w (XLOGP3) :	3.85
Log Po/w (WLOGP) :	3.77
Log Po/w (MLOGP) :	1.47
Log Po/w (SILICOS-IT) :	1.86
Consensus Log Po/w :	2.67

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	1.0
Egan :	1.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-4.71
Solubility :	0.00952 mg/ml ; 0.0000194 mol/l
Class :	Moderately soluble
Log S (Ali) :	-6.34
Solubility :	0.000224 mg/ml ; 0.000000456 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-6.09
Solubility :	0.000395 mg/ml ; 0.000000805 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	4.71

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

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