Tan Lab | DSigDB

Gene Set: D4 : TTD - Clorgyline

Collection

D4 : TTD

Chemical Name

Clorgyline ( From PubChem : CLORGILINE )

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
272.17 g/mol	0	2	3.3273	True

Structure

InChI

InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3

InChIKey

Links

Gene (5 / 23)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			MAOA		Successful target
TTD	Drug(s)			MAOA		Successful target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	2.512	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	0.398	CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	1.995	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	10.000	TSHR	-	GI(Protien) :
ChEMBL	AC50	nM	158.490	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	630.960	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	2511.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	2511.890	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	5011.870	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	5011.900	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	1995.260	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	398.110	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	398.100	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	1995.300	CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		MAOA	-	Target : CHEMBL1951
ChEMBL	Potency	nM	10000.000	TSHR	-	Target : CHEMBL1963

Download gene sets