Tan Lab | DSigDB

Gene Set: D4 : CTD - Pergolide

Collection

D4 : CTD

Chemical Name

Pergolide ( From PubChem : PERGOLIDE )

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
314.488 g/mol	1	2	4.209	True

Structure

InChI

InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1

InChIKey

Links

Gene (17 / 30)

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Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			BAX		D010479
CTD	increases(expression)			BAX		D010479
CTD	decreases(reaction)			CDKN1A		D010479
CTD	increases(expression)			CDKN1A		D010479
CTD	increases(activity)			DRD1		D010479
CTD	increases(activity)			DRD2		D010479
CTD	decreases(activity)			KCNA5		D010479
CTD	decreases(reaction)			MSH2		D010479
CTD	increases(expression)			MSH2		D010479
CTD	affects(localization)			NFKB1		D010479
CTD	decreases(reaction)			NFKB1		D010479
CTD	increases(expression)			NFKB1		D010479
CTD	affects(localization)			RELA		D010479
CTD	decreases(reaction)			RELA		D010479
CTD	increases(expression)			RELA		D010479
CTD	decreases(reaction)			SLC22A2		D010479
CTD	increases(uptake)			SLC22A2		D010479
CTD	decreases(reaction)			TP53		D010479
CTD	increases(expression)			TP53		D010479
PubChem	Potency	uM	12.589	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	0.018	DRD1	-	GI(Protien) :
PubChem	Potency	uM	0.562	DRD1	-	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) :
ChEMBL	Potency	nM	12589.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	562.300	DRD1	-	Target : CHEMBL2056

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