Tan Lab | DSigDB

Gene Set: D1 - Approved - AJMALICINE

Collection

D1 : Approved

Chemical Name

AJMALICINE

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
352.427 g/mol	1	4	3.1167	True

Structure

InChI

InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-/m0/s1

InChIKey

GRTOGORTSDXSFK-XJTZBENFSA-N

Links

Gene (11 / 33)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem		uM		ADRA1A		GI(Protien) :
PubChem		uM		ADRA1B		GI(Protien) :
PubChem		uM		ADRA1D		GI(Protien) :
PubChem		uM		ADRA2A		GI(Protien) :
PubChem		uM		ADRA2B		GI(Protien) :
PubChem		uM		ADRA2C		GI(Protien) :
PubChem		uM		CYP1A2	-	GI(Protien) :
PubChem		uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP2C9	-	GI(Protien) :
PubChem		uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	0.002	CYP2D6	-	GI(Protien) :
PubChem	Ki	uM	0.003	CYP2D6		GI(Protien) :
PubChem	Ki	uM	0.004	CYP2D6		GI(Protien) :
PubChem	Ki	uM	0.005	CYP2D6		GI(Protien) :
PubChem	Ki	uM	0.005	CYP2D6		GI(Protien) :
PubChem	Ki	uM	0.006	CYP2D6		GI(Protien) :
PubChem	Potency	uM	0.008	CYP2D6	-	GI(Protien) :
PubChem	Ki	uM	0.013	CYP2D6		GI(Protien) :
PubChem	Ki	uM	0.014	CYP2D6		GI(Protien) :
PubChem		uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	10.000	CYP3A4	-	GI(Protien) :
PubChem		uM		CYP3A4	-	GI(Protien) :
ChEMBL	AC50	nM	7943.280	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	3981.070	CYP1A2	-	Target : CHEMBL3356
ChEMBL	Potency	nM	10000.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	10000.000	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	7.940	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	2.000	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	7.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	2.000	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	10000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	AC50	nM	10000.000	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	12589.300	KDM4E	-	Target : CHEMBL1293226

Download gene sets

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