Basic information about inhibitors

IPAD-DB ID	S01209
Name	1-naphthol
Category	Synthetic compounds
2D Structure
3D Structure
Molecular Formula	C 1 0 H 8 O
Molecular Weight	144.17 g/mol
IUPAC Name	naphthalen-1-ol
InChI	InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7, 11H
InChIKey	KJCVRFUGPWSIIH-UHFFFAOYSA-N
Canonical SMILES	C1=CC=C2C(=C1)C=CC=C2O
PubChem CID	7005
DrugBank Accession Number	-
CAS Registry Number	90-15-3

Biological activity data

Ki	-
EC50
IC50
Inhibition
Toxicity
ROS(reactive oxygen species)
Metal Chelating
BBB(blood-brain barrier)
Target Protein	IAPP
Effects	Inhibited amyloid fibril formation
Research Models
Ref. Link

Physicochemical properties

Molecular Weight(Computed by SwissADME)	144.17
Hac(Computed by SwissADME)	11
Volume(Computed by ADMETlab 2.0)	160.011
Density(Computed by ADMETlab 2.0)	0.9
nRing(Computed by ADMETlab 2.0)	2
MaxRing(Computed by ADMETlab 2.0)	10
nHet(Computed by ADMETlab 2.0)	1
fChar(Computed by ADMETlab 2.0)	0
nRig(Computed by ADMETlab 2.0)	11
Flexibility(Computed by ADMETlab 2.0)	0
Stero Centers(Computed by ADMETlab 2.0)	0
LogS(Computed by ADMETlab 2.0)	-2.389
LogD(Computed by ADMETlab 2.0)	2.851

ADMET properties

logP(Computed by ADMETlab 2.0)	2.797
TPSA(Computed by SwissADME)	20.23
Hbond Acceptor(Computed by SwissADME)	1
Hbond Donor(Computed by SwissADME)	1
Rotatable Bonds(Computed by SwissADME)	0

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)	Yes
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)	-5.16

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)	2
Bioavailability Score(Computed by SwissADME)	0.55