Losartan carboxylic acid

Introduction

CAS No. :	124750-92-1	MDL No. :	MFCD00871928
Formula :	C22H21ClN6O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ZEUXAIYYDDCIRX-UHFFFAOYSA-N
M.W :	436.89	Pubchem ID :	108185
Synonyms :	E-3174;EXP-3174	Chemical Name :	Losartan carboxylic acid

Physicochemical Properties

Num. heavy atoms :	31
Num. arom. heavy atoms :	22
Fraction Csp3 :	0.23
Num. rotatable bonds :	8
Num. H-bond acceptors :	6.0
Num. H-bond donors :	2.0
Molar Refractivity :	117.94
TPSA :	109.58 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.37 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.22
Log Po/w (XLOGP3) :	5.07
Log Po/w (WLOGP) :	4.47
Log Po/w (MLOGP) :	3.58
Log Po/w (SILICOS-IT) :	4.49
Consensus Log Po/w :	3.97

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-5.74
Solubility :	0.000795 mg/ml ; 0.00000182 mol/l
Class :	Moderately soluble
Log S (Ali) :	-7.11
Solubility :	0.0000336 mg/ml ; 0.000000077 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-7.94
Solubility :	0.00000503 mg/ml ; 0.0000000115 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	3.38

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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