5-Methoxy-9-oxo-9,10-dihydroacridine-4-carboxylic acid

Introduction

CAS No. :	88377-31-5	MDL No. :	MFCD09955193
Formula :	C15H11NO4	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	ZDSRKZQRHDTJCK-UHFFFAOYSA-N
M.W :	269.25	Pubchem ID :	11108386
Synonyms :

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	14
Fraction Csp3 :	0.07
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	75.53
TPSA :	79.39 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.19 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.98
Log Po/w (XLOGP3) :	2.47
Log Po/w (WLOGP) :	2.39
Log Po/w (MLOGP) :	1.29
Log Po/w (SILICOS-IT) :	3.0
Consensus Log Po/w :	2.23

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.45
Solubility :	0.0952 mg/ml ; 0.000354 mol/l
Class :	Soluble
Log S (Ali) :	-3.78
Solubility :	0.0445 mg/ml ; 0.000165 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.79
Solubility :	0.00441 mg/ml ; 0.0000164 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	1.9

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

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine