Basic information about inhibitors

IPAD-DB ID	S01287
Name	SD-1
Category	Synthetic compounds
2D Structure
3D Structure
Molecular Formula
Molecular Weight
IUPAC Name
InChI
InChIKey
Canonical SMILES
PubChem CID
DrugBank Accession Number	-
CAS Registry Number	-

Biological activity data

Ki	-
EC50
IC50
Inhibition
Toxicity	Alleviated Cu2+-Aβ42 induced neurotoxicity
ROS(reactive oxygen species)	inhibited the production of ROS catalyzed by Cu2+-Aβ42 species.
Metal Chelating	Cu2+
BBB(blood-brain barrier)	PASS
Target Protein	Aβ1-42
Effects	(1)Compound suppressed the formation of Cu2+-Aβ species, (2) Compound inhibited the expression of pro-inflammatory cytokines induced by Cu2+, (3)SD-1 inhibited the expressions of NO, iNOS, TNF-α, IL-1β and IL-6 induced by Cu2+ in BV2 microglial cells, (4)the affinity between SD-1 and Cu2+(Kd = 3.01 ± 0.82 μM) was stronger than that between Cu2+ and Aβ1-42(Kd = 83.04 ± 6.1 μM),
Research Models	Transgenic C. elegans CL2120 , APPsw SH-SY5Y cell, BV2 microglial cells
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Physicochemical properties

Molecular Weight(Computed by SwissADME)
Hac(Computed by SwissADME)
Volume(Computed by ADMETlab 2.0)
Density(Computed by ADMETlab 2.0)
nRing(Computed by ADMETlab 2.0)
MaxRing(Computed by ADMETlab 2.0)
nHet(Computed by ADMETlab 2.0)
fChar(Computed by ADMETlab 2.0)
nRig(Computed by ADMETlab 2.0)
Flexibility(Computed by ADMETlab 2.0)
Stero Centers(Computed by ADMETlab 2.0)
LogS(Computed by ADMETlab 2.0)
LogD(Computed by ADMETlab 2.0)

ADMET properties

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

Pharmacokinetics

GI Absorption(Computed by SwissADME)
BBB(blood-brain barrier) Permeant(Computed by SwissADME)
P-gp Substrate(Computed by SwissADME)
CYP1A2 Inhibitor(Computed by SwissADME)
CYP2C19 Inhibitor(Computed by SwissADME)
CYP2C9 Inhibitor(Computed by SwissADME)
CYP2D6 Inhibitor(Computed by SwissADME)
CYP3A4 Inhibitor(Computed by SwissADME)
log Kp(Skin Permeation)(Computed by SwissADME)

Druglikeness

Lipinski(Computed by SwissADME)
Ghose(Computed by SwissADME)
Veber(Computed by SwissADME)
Egan(Computed by SwissADME)
Muegge(Computed by SwissADME)
Bioavailability Score(Computed by SwissADME)