Tan Lab | DSigDB

Gene Set: D4 : TTD - N-DESMETHYLCLOZAPINE

Collection

D4 : TTD

Chemical Name

N-DESMETHYLCLOZAPINE ( From PubChem : NORCLOZAPINE )

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
312.797 g/mol	2	4	1.528	True

Structure

InChI

InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19,21H,7-10H2

InChIKey

Links

Gene (12 / 22)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CHRM2		Successful target
TTD	Inhibitor			CHRM3		Successful target
TTD	Inhibitor			CHRM4		Successful target
TTD	Inhibitor			CHRM5		Successful target
TTD	Inhibitor			KCNH2		Successful target
PubChem	Potency	uM	12.589	ATXN2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	6.310	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	0.562	DRD1	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	Potency	uM	9.200	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.995	TDP1	-	GI(Protien) :
PubChem	Potency	uM	18.837	TDP1	-	GI(Protien) :
PubChem	Potency	uM	18.837	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	6309.600	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	6309.570	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	5011.870	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	5011.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	562.300	DRD1	-	Target : CHEMBL2056

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