Tan Lab | DSigDB

Gene Set: D4 : TTD - Loratadine

Collection

D4 : TTD

Chemical Name

Loratadine ( From PubChem : LORATADINE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
382.883 g/mol	0	4	4.8257	True

Structure

InChI

InChI=1S/C22H23ClN2O2/c1-2-27-22(26)25-12-9-15(10-13-25)20-19-8-7-18(23)14-17(19)6-5-16-4-3-11-24-21(16)20/h3-4,7-8,11,14H,2,5-6,9-10,12-13H2,1H3

InChIKey

JCCNYMKQOSZNPW-UHFFFAOYSA-N

Links

Gene (18 / 42)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Antagonist			HRH1		Successful target
TTD	Drug(s)			HRH1		Successful target
PubChem	Potency-Replicate_1	uM	17.374	AR	-	GI(Protien) :
PubChem	AR Potency (uM)	uM	27.644	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.131	AR	-	GI(Protien) :
PubChem	None	uM		CACNA1H	-	GI(Protien) :
PubChem	Potency	uM	0.398	CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	15.849	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	31.623	CYP2D6	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	None	uM		DRD3	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	22.577	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.832	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	61.131	ESR1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	61.131	ESR1	-	GI(Protien) :
PubChem	Potency	uM	23.109	GMNN	-	GI(Protien) :
PubChem	Potency	uM	15.849	HIF1A	-	GI(Protien) :
PubChem	Potency	uM	19.953	MAPK1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	6.188	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	6.601	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	7.943	NPSR1	-	GI(Protien) :
PubChem	Potency	uM	12.589	NPSR1	-	GI(Protien) :
PubChem	IC50	uM		PHOSPHO1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	59.324	PPARD	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.332	PPARG	-	GI(Protien) :
PubChem	None	uM		PPARG	-	GI(Protien) :
PubChem	Potency	uM	2.661	TDP1	-	GI(Protien) :
PubChem	Potency	uM	11.886	TDP1	-	GI(Protien) :
PubChem	Potency	uM	12.995	TDP1	-	GI(Protien) :
PubChem	Potency	uM	14.963	TDP1	-	GI(Protien) :
PubChem	Potency	uM	20.596	TDP1	-	GI(Protien) :
PubChem	Potency	uM	39.811	TSHR	-	GI(Protien) :
ChEMBL	Potency	nM	398.100	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	15848.900	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	15848.900	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	31622.800	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	15848.900	HIF1A	-	Target : CHEMBL4261
ChEMBL	Potency	nM	19952.600	MAPK1	-	Target : CHEMBL4040
ChEMBL	Potency	nM	7943.300	NPSR1	-	Target : CHEMBL5162
ChEMBL	Potency	nM	12589.300	NPSR1	-	Target : CHEMBL5162
ChEMBL	Potency	nM	39810.700	TSHR	-	Target : CHEMBL1963

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