Basic information about inhibitors

IPAD-DB ID	C00247
Name	Tyrosol (TYR)
Category	Natural compounds
2D Structure
3D Structure
Molecular Formula	C 8 H 1 0 O 2
Molecular Weight	138.16 g/mol
IUPAC Name	4-(2-hydroxyethyl)phenol
InChI	InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4, 9-10H, 5-6H2
InChIKey	YCCILVSKPBXVIP-UHFFFAOYSA-N
Canonical SMILES	C1=CC(=CC=C1CCO)O
PubChem CID	10393
DrugBank Accession Number	-
CAS Registry Number	501-94-0

Biological activity data

Ki	-
EC50	-
IC50	4.62 μM(hIAPP)
Inhibition	At a fixed concentration of 10 μM, TYR was found to inhibit aggregation of 35.4 ± 3%.
Toxicity	-
ROS(reactive oxygen species)	-
Metal Chelating	-
BBB(blood-brain barrier)	-
Target Protein	HIAPP
Effects	-
Research Models	-
Main Source	Olive oil
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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)	-0.207
LogD(Computed by ADMETlab 2.0)	0.948

ADMET properties

logP(Computed by ADMETlab 2.0)	0.777
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)	-6.84

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