Tan Lab | DSigDB

Gene Set: D4 : TTD - SNC-80

Collection

D4 : TTD

Chemical Name

SNC-80 ( From PubChem : SNC 80 )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
449.628 g/mol	0	5	4.723	True

Structure

InChI

InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1

InChIKey

KQWVAUSXZDRQPZ-UMTXDNHDSA-N

Links

Gene (6 / 20)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Agonist			OPRD1		Successful target
PubChem	Potency	uM	1.585	CYP2D6	-	GI(Protien) :
PubChem	None	uM		CYP2D6	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	10.590	NR1H4	-	GI(Protien) :
PubChem	Potency	uM	23.715	TDP1	-	GI(Protien) :
PubChem	EC50	uM	0.011	OPRD1	-	GI(Protien) :
PubChem	EC50	uM	0.042	OPRD1	-	GI(Protien) :
PubChem	None	uM		OPRD1	-	GI(Protien) :
PubChem	None	uM		OPRD1	-	GI(Protien) :
PubChem	EC50	uM	0.042	OPRM1	-	GI(Protien) :
PubChem	None	uM		OPRM1	-	GI(Protien) :
PubChem	None	uM		OPRM1	-	GI(Protien) :
PubChem	Potency	uM	18.356	TDP1	-	GI(Protien) :
ChEMBL	AC50	nM	1584.890	CYP2D6	-	Target : CHEMBL289
ChEMBL	Potency	nM	1584.900	CYP2D6	-	Target : CHEMBL289
ChEMBL	AC50	nM	5011.870	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	5011.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Activity	-		OPRD1	-	Target : CHEMBL236

Download gene sets

gmt, text, Detailed text