Tan Lab | DSigDB

Gene Set: D4 : Boss - parlodel

Collection

D4 : Boss

Chemical Name

parlodel ( From PubChem : BROMOCRIPTINE MESYLATE )

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
750.7 g/mol	4	12	3.9822	False(2/4)

Structure

InChI

InChI=1S/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)/t18-,23?,24+,25?,31-,32+;/m1./s1

InChIKey

NOJMTMIRQRDZMT-IUSTXGBGSA-N

Links

Gene (34 / 49)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			C7orf49
BOSS	Text Mining			CASP3
BOSS	Text Mining			GGH
BOSS	Text Mining			HLP
BOSS	Text Mining			IGFBP1
BOSS	Text Mining			INS
BOSS	Text Mining			POMC
BOSS	Text Mining			PRL
BOSS	Text Mining			SIL1
BOSS	Text Mining			SLC6A3
BOSS	Text Mining			SST
BOSS	Text Mining			TACR2
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	9.680	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	14.764	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	20.679	AR	-	GI(Protien) :
PubChem	None	uM		CYP19A1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	9.316	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	11.286	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	4.126	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	5.828	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NR1H4	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.314	AR	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	22.148	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	25.115	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.603	AR	-	GI(Protien) :
PubChem	Potency	uM	3.264	DRD1	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Potency	uM	23.778	EHMT2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	9.521	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	17.593	ESR1	-	GI(Protien) :
PubChem	None	uM		HTR1A		GI(Protien) :
PubChem	None	uM		HTR1B		GI(Protien) :
PubChem	None	uM		HTR1D		GI(Protien) :
PubChem	None	uM		HTR2A		GI(Protien) :
PubChem	None	uM		HTR2B		GI(Protien) :
PubChem	None	uM		HTR2C		GI(Protien) :
PubChem	None	uM		HTR6		GI(Protien) :
PubChem	None	uM		NR3C1	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	9.441	TDP1	-	GI(Protien) :
PubChem	Potency	uM	21.136	TDP1	-	GI(Protien) :
PubChem	Potency	uM	28.184	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	22387.200	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	12589.300	NPSR1	-	Target : CHEMBL5162
ChEMBL	Potency	nM	23778.100	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	14125.400	EHMT2	-	Target : CHEMBL6032

Download gene sets

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