Tan Lab | DSigDB

Gene Set: D4 : TTD - Clobenpropit

Collection

D4 : TTD

Chemical Name

Clobenpropit ( From PubChem : CLOBENPROPIT )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
308.83 g/mol	2	4	3.9441	True

Structure

InChI

InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)

InChIKey

Links

Gene (8 / 22)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			HRH3		Clinical trial target
TTD	Agonist			HRH4		Research target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	1.585	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	21.136	TDP1	-	GI(Protien) :
ChEMBL	AC50	nM	15848.900	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	15848.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	15848.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	12589.200	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	12589.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	12589.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	12589.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	1584.890	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	1584.900	CYP3A4	-	Target : CHEMBL340

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