Basic information about inhibitors

IPAD-DB ID	C00480
Name	2-Hydroxyphenethyl alcohol
Category	Natural compounds
2D Structure
3D Structure
Molecular Formula	C 8 H 1 0 O 2
Molecular Weight	138.16g/mol
IUPAC Name	2-(2-hydroxyethyl)phenol
InChI	InChI=1S/C8H10O2/c9-6-5-7-3-1-2-4-8(7)10/h1-4, 9-10H, 5-6H2
InChIKey	ABFCOJLLBHXNOU-UHFFFAOYSA-N
Canonical SMILES	C1=CC=C(C(=C1)CCO)O
PubChem CID	82200
DrugBank Accession Number	-
CAS Registry Number	7768-28-7

Biological activity data

Ki	-
EC50	-
IC50	-
Inhibition	-
Toxicity	-
ROS(reactive oxygen species)	-
Metal Chelating	-
BBB(blood-brain barrier)	-
Target Protein	Amylin Amyloid
Effects	(1) Only at a relatively higher concentration did 2-hydroxyphenethyl alcohol shows moderate dimer breakup functions,
Research Models	INS-1 β cells, SHSY-5Y cells
Main Source	-
Ref. Link

Physicochemical properties

Molecular Weight(Computed by SwissADME)	138.16
Hac(Computed by SwissADME)	10
Volume(Computed by ADMETlab 2.0)	148.039
Density(Computed by ADMETlab 2.0)	0.933
nRing(Computed by ADMETlab 2.0)	1
MaxRing(Computed by ADMETlab 2.0)	6
nHet(Computed by ADMETlab 2.0)	2
fChar(Computed by ADMETlab 2.0)	0
nRig(Computed by ADMETlab 2.0)	6
Flexibility(Computed by ADMETlab 2.0)	0.333
Stero Centers(Computed by ADMETlab 2.0)	0
LogS(Computed by ADMETlab 2.0)	-0.071
LogD(Computed by ADMETlab 2.0)	0.999

ADMET properties

logP(Computed by ADMETlab 2.0)	0.951
TPSA(Computed by SwissADME)	40.46
Hbond Acceptor(Computed by SwissADME)	2
Hbond Donor(Computed by SwissADME)	2
Rotatable Bonds(Computed by SwissADME)	2

Pharmacokinetics

GI Absorption(Computed by SwissADME)	High
BBB(blood-brain barrier) Permeant(Computed by SwissADME)	Yes
P-gp Substrate(Computed by SwissADME)	No
CYP1A2 Inhibitor(Computed by SwissADME)	No
CYP2C19 Inhibitor(Computed by SwissADME)	No
CYP2C9 Inhibitor(Computed by SwissADME)	No
CYP2D6 Inhibitor(Computed by SwissADME)	No
CYP3A4 Inhibitor(Computed by SwissADME)	No
log Kp(Skin Permeation)(Computed by SwissADME)	-6.26

Druglikeness

Lipinski(Computed by SwissADME)	0
Ghose(Computed by SwissADME)	2
Veber(Computed by SwissADME)	0
Egan(Computed by SwissADME)	0
Muegge(Computed by SwissADME)	1
Bioavailability Score(Computed by SwissADME)	0.55