Cis-3-(8-Amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol

Introduction

CAS No. :	867160-71-2	MDL No. :	MFCD12912153
Formula :	C26H23N5O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PKCDDUHJAFVJJB-UHFFFAOYSA-N
M.W :	421.49	Pubchem ID :	11640390
Synonyms :	OSI-906	Chemical Name :	Cis-3-(8-Amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-1-methylcyclobutan-1-ol

Physicochemical Properties

Num. heavy atoms :	32
Num. arom. heavy atoms :	25
Fraction Csp3 :	0.19
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	126.84
TPSA :	89.33 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.91 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.6
Log Po/w (XLOGP3) :	4.17
Log Po/w (WLOGP) :	4.83
Log Po/w (MLOGP) :	2.43
Log Po/w (SILICOS-IT) :	3.86
Consensus Log Po/w :	3.78

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.46
Solubility :	0.00146 mg/ml ; 0.00000346 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.75
Solubility :	0.000742 mg/ml ; 0.00000176 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-8.27
Solubility :	0.00000224 mg/ml ; 0.0000000053 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	4.21

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