Tan Lab | DSigDB

Gene Set: D1 - Approved - TICLOPIDINE

Collection

D1 : Approved

Chemical Name

TICLOPIDINE

FDA	NPC	WHO	Indian	Australia	China	Traditional Herbal	Clinical Trail
Approved	Not	Not	Approved	Not	Not	Not	Not

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
263.786 g/mol	0	2	3.8977	True

Structure

InChI

InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2

InChIKey

Links

Gene (12 / 30)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	IC50	uM	0.382	ADRA2A	-	GI(Protien) :
PubChem	IC50	uM	0.304	ADRA2B	-	GI(Protien) :
PubChem	IC50	uM	1.175	ADRA2C	-	GI(Protien) :
PubChem		uM		CYP1A2		GI(Protien) :
PubChem		uM		CYP1A2	-	GI(Protien) :
PubChem		uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	0.040	CYP2C19	-	GI(Protien) :
PubChem	IC50	uM	0.668	CYP2C19	-	GI(Protien) :
PubChem		uM		CYP2C19	-	GI(Protien) :
PubChem		uM		CYP2C9		GI(Protien) :
PubChem	Potency	uM	0.398	CYP2D6	-	GI(Protien) :
PubChem	IC50	uM	6.293	CYP2D6	-	GI(Protien) :
PubChem		uM		CYP2D6		GI(Protien) :
PubChem		uM		CYP2D6	-	GI(Protien) :
PubChem		uM		CYP3A4		GI(Protien) :
PubChem	Potency	uM	11.883	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	21.293	ESR1	-	GI(Protien) :
PubChem	Potency	uM	23.891	ESR1	-	GI(Protien) :
PubChem		uM		MAP3K3	-	GI(Protien) :
PubChem		uM		MAP4K2	-	GI(Protien) :
PubChem	IC50	uM	0.426	SIGMAR1	-	GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	501.190	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	39.810	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	39.800	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	398.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	398.110	CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340

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