Tan Lab | DSigDB

Gene Set: D1 - Approved - DIHYDROERGOTAMINE

Collection

D1 : Approved

Chemical Name

DIHYDROERGOTAMINE

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
583.677 g/mol	3	9	2.2857	False(3/4)

Structure

InChI

InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23-,25-,26+,27+,32-,33+/m1/s1

InChIKey

LUZRJRNZXALNLM-JGRZULCMSA-N

Links

Gene (22 / 31)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
PubChem	IC50	uM	0.029	ADRA1D	-	GI(Protien) :
PubChem	IC50	uM	0.001	ADRA2A	-	GI(Protien) :
PubChem	IC50	uM	0.004	ADRA2B	-	GI(Protien) :
PubChem	IC50	uM	0.010	ADRA2C	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	9.521	AR	-	GI(Protien) :
PubChem	IC50	uM	5.000	CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	0.082	DRD1	-	GI(Protien) :
PubChem	IC50	uM	2.395	DRD1	-	GI(Protien) :
PubChem	Potency	uM	8.912	DRD1	-	GI(Protien) :
PubChem	IC50	uM	0.009	DRD2	-	GI(Protien) :
PubChem	IC50	uM	0.005	DRD3	-	GI(Protien) :
PubChem		uM		HTR1B		GI(Protien) :
PubChem		uM		HTR1B		GI(Protien) :
PubChem		uM		HTR1D		GI(Protien) :
PubChem		uM		HTR1D		GI(Protien) :
PubChem		uM		HTR1D		GI(Protien) :
PubChem		uM		HTR1E		GI(Protien) :
PubChem		uM		HTR1F		GI(Protien) :
PubChem		uM		HTR1F		GI(Protien) :
PubChem	IC50	uM	0.008	HTR2A	-	GI(Protien) :
PubChem	IC50	uM	0.007	HTR2B	-	GI(Protien) :
PubChem	IC50	uM	0.090	HTR2C	-	GI(Protien) :
PubChem	IC50	uM	0.003	HTR6	-	GI(Protien) :
PubChem		uM		HTR7		GI(Protien) :
PubChem	IC50	uM	49.900	SLC22A2		GI(Protien) :
PubChem	IC50	uM	2.800	SLC47A1		GI(Protien) :
PubChem	IC50	uM	12.600	SLC47A2		GI(Protien) :
ChEMBL	Potency	nM	8912.500	DRD1	-	Target : CHEMBL2056
ChEMBL	Potency	nM	82.000	DRD1	-	Target : CHEMBL2056
ChEMBL	Potency	nM	3981.100	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	3162.300	MAPT	-	Target : CHEMBL1293224

Download gene sets

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