Tan Lab | DSigDB

Gene Set: D1 - Approved - CYTOMEL

Collection

D1 : Approved

Chemical Name

CYTOMEL

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
672.955 g/mol	2	5	3.3183	False(3/4)

Structure

InChI

InChI=1S/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1/t12-;/m0./s1

InChIKey

Links

Gene (15 / 29)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	Potency	uM	7.144	AHR	-	GI(Protien) :
PubChem	AhR Potency (uM)	uM	10.091	AHR	-	GI(Protien) :
PubChem	Potency	uM	6.310	ALDH1A1	-	GI(Protien) :
PubChem	Potency	uM	50.119	BAZ2B	-	GI(Protien) :
PubChem	Potency	uM	25.119	BLM	-	GI(Protien) :
PubChem	Potency	uM	8.015	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	30.708	ESR1	-	GI(Protien) :
PubChem	Potency	uM	40.172	ESR1	-	GI(Protien) :
PubChem	Potency	uM	51.013	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM		ESR1	-	GI(Protien) :
PubChem	Potency	uM	20.596	GMNN	-	GI(Protien) :
PubChem	IC50	uM		GPR55	-	GI(Protien) :
PubChem	Potency	uM	28.184	HPGD	-	GI(Protien) :
PubChem	IC50	uM	14.687	MCL1	-	GI(Protien) :
PubChem		uM		MCL1	-	GI(Protien) :
PubChem		uM		MCL1	-	GI(Protien) :
PubChem	Potency	uM	12.703	NFE2L2	-	GI(Protien) :
PubChem		uM		NR3C1	-	GI(Protien) :
PubChem	Potency	uM	19.953	POLB	-	GI(Protien) :
PubChem		uM		PPARG	-	GI(Protien) :
PubChem		uM		THRA	-	GI(Protien) :
PubChem		uM		THRB	-	GI(Protien) :
ChEMBL	Potency	nM	6309.600	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	Potency	nM	50118.700	BAZ2B	-	Target : CHEMBL1741220
ChEMBL	Potency	nM	25118.900	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	20596.200	GMNN	-	Target : CHEMBL1293278
ChEMBL	Potency	nM	28183.800	HPGD	-	Target : CHEMBL1293255
ChEMBL	IC50	nM	14687.400	MCL1	-	Target : CHEMBL4361
ChEMBL	Potency	nM	19952.600	POLB	-	Target : CHEMBL2392

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