Tan Lab | DSigDB

Gene Set: D4 : CTD - Maprotiline

Collection

D4 : CTD

Chemical Name

Maprotiline ( From PubChem : MAPROTILINE )

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
277.403 g/mol	1	1	4.6023	True

Structure

InChI

InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3/t15-,20+

InChIKey

QSLMDECMDJKHMQ-GSXCWMCISA-N

Links

Gene (21 / 47)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(expression)			BECN1		D008376
CTD	decreases(reaction)			KCNH2		D008376
CTD	increases(transport)			KCNH2		D008376
CTD	decreases(reaction)			SLC22A2		D008376
CTD	increases(uptake)			SLC22A2		D008376
PubChem	AR Potency (uM)	uM	33.492	AR	-	GI(Protien) :
PubChem	Potency	uM	15.849	ATXN2	-	GI(Protien) :
PubChem	Potency	uM	31.623	ATXN2	-	GI(Protien) :
PubChem	None	uM		CHRM1	-	GI(Protien) :
PubChem	None	uM		CHRM4	-	GI(Protien) :
PubChem	None	uM		CHRM5	-	GI(Protien) :
PubChem	Potency	uM	3.981	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	2.239	DRD1	-	GI(Protien) :
PubChem	Potency	uM	11.220	DRD1	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	Potency	uM	0.521	MTOR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.332	PPARG	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	Potency	uM	9.441	TDP1	-	GI(Protien) :
PubChem	Potency	uM	11.886	TDP1	-	GI(Protien) :
PubChem	Potency	uM	16.360	TDP1	-	GI(Protien) :
PubChem	Potency	uM	21.136	TDP1	-	GI(Protien) :
PubChem	Potency	uM	31.623	TP53	-	GI(Protien) :
PubChem	Potency	uM	39.811	TSHR	-	GI(Protien) :
PubChem	None	uM		WHSC1	-	GI(Protien) :
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	3981.070	CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	3981.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	12589.200	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	12589.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	3162.280	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	2511.890	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	3162.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	2511.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	11220.200	DRD1	-	Target : CHEMBL2056
ChEMBL	Potency	nM	2238.700	DRD1	-	Target : CHEMBL2056
ChEMBL	Potency	nM	521.200	MTOR	-	Target : CHEMBL2842
ChEMBL	Potency	nM	31622.800	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	39810.700	TSHR	-	Target : CHEMBL1963

Download gene sets

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