Tan Lab | DSigDB

Gene Set: D1 - Approved - MELPHALAN

Collection

D1 : Approved

Chemical Name

MELPHALAN

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
305.2 g/mol	2	4	2.6253	True

Structure

InChI

InChI=1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1

InChIKey

SGDBTWWWUNNDEQ-LBPRGKRZSA-N

Links

Gene (17 / 37)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem		uM		ABCB1	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	26.603	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	26.832	AR	-	GI(Protien) :
PubChem	Potency	uM	29.849	AR	-	GI(Protien) :
PubChem	Potency	uM	30.107	AR	-	GI(Protien) :
PubChem	ATAD5 Potency (uM)	uM	31.017	ATAD5	-	GI(Protien) :
PubChem		uM		BARD1	-	GI(Protien) :
PubChem		uM		BRCA1	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP3A4	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	17.495	ESR1	-	GI(Protien) :
PubChem	Potency	uM	23.330	ESR1	-	GI(Protien) :
PubChem		uM		MDM2	-	GI(Protien) :
PubChem		uM		MDM4	-	GI(Protien) :
PubChem	Potency	uM	42.163	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	54.483	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	39.811	NR1H4	-	GI(Protien) :
PubChem	Potency	uM	44.668	NR1I2	-	GI(Protien) :
PubChem	Potency	uM	26.603	RORC	-	GI(Protien) :
PubChem		uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	0.231	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.259	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.531	TDP1	-	GI(Protien) :
PubChem	Potency	uM	0.531	TDP1	-	GI(Protien) :
PubChem	Potency	uM	13.333	TP53	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	18.834	TP53	-	GI(Protien) :
PubChem	Potency	uM	25.119	TP53	-	GI(Protien) :
PubChem	Potency	uM	26.176	TP53	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	27.200	TP53	-	GI(Protien) :
PubChem	Potency	uM	39.811	TP53	-	GI(Protien) :
ChEMBL	Potency	nM	3162.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	7943.300	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	54482.700	NFE2L2	-	Target : CHEMBL1075094
ChEMBL	Potency	nM	42163.200	NFE2L2	-	Target : CHEMBL1075094
ChEMBL	Potency	nM	39810.700	NR1H4	-	Target : CHEMBL2047
ChEMBL	Potency	nM	26603.200	RORC	-	Target : CHEMBL1741186
ChEMBL	Potency	nM	39810.700	TP53	-	Target : CHEMBL4096
ChEMBL	Potency	nM	25118.900	TP53	-	Target : CHEMBL4096

Download gene sets

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