Tan Lab | DSigDB

Gene Set: D4 : TTD - Urapidil

Collection

D4 : TTD

Chemical Name

Urapidil ( From PubChem : URAPIDIL )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
387.476 g/mol	1	8	0.7927	True

Structure

InChI

InChI=1S/C20H29N5O3/c1-22-18(15-19(26)23(2)20(22)27)21-9-6-10-24-11-13-25(14-12-24)16-7-4-5-8-17(16)28-3/h4-5,7-8,15,21H,6,9-14H2,1-3H3

InChIKey

Links

Gene (8 / 17)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Agonist			HTR1A		Successful target
TTD	Inhibitor			TNF		Successful target
TTD	Drug(s)			TNF		Successful target
PubChem	Potency	uM	7.943	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	22.387	EHMT2	-	GI(Protien) :
PubChem	None	uM		HTT	-	GI(Protien) :
PubChem	Potency	uM	12.589	TSHR	-	GI(Protien) :
ChEMBL	Potency	nM	7943.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	7943.280	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	12589.200	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	12589.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	22387.200	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	12589.300	TSHR	-	Target : CHEMBL1963

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