ENOblock

Introduction

CAS No. :	1177827-73-4	MDL No. :	MFCD28009373
Formula :	C31H43FN8O3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MOVYITHKOHMLHC-UHFFFAOYSA-N
M.W :	594.72	Pubchem ID :	24012277
Synonyms :	ENOblock	Chemical Name :	ENOblock

Physicochemical Properties

Num. heavy atoms :	43
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.48
Num. rotatable bonds :	19
Num. H-bond acceptors :	8.0
Num. H-bond donors :	5.0
Molar Refractivity :	165.65
TPSA :	148.34 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.78 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.54
Log Po/w (XLOGP3) :	4.43
Log Po/w (WLOGP) :	3.9
Log Po/w (MLOGP) :	2.02
Log Po/w (SILICOS-IT) :	4.23
Consensus Log Po/w :	3.82

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	2.0
Egan :	1.0
Muegge :	1.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-5.37
Solubility :	0.00251 mg/ml ; 0.00000423 mol/l
Class :	Moderately soluble
Log S (Ali) :	-7.26
Solubility :	0.0000324 mg/ml ; 0.0000000545 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-10.65
Solubility :	0.0000000132 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	4.3

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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