Tan Lab | DSigDB

Gene Set: D4 : TTD - Cyclosporin A

Collection

D4 : TTD

Chemical Name

Cyclosporin A ( From PubChem : CYCLOSPORIN A )

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
1202.61 g/mol	5	23	4.1495	False(2/4)

Structure

InChI

InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)

InChIKey

PMATZTZNYRCHOR-UHFFFAOYSA-N

Links

Gene (27 / 45)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			ABCB11		Successful target
PubChem	Potency	uM	7.943	GMNN	-	GI(Protien) :
PubChem	Potency	uM	10.399	MTOR	-	GI(Protien) :
PubChem	None	uM		MYC	-	GI(Protien) :
PubChem	None	uM		NFKB1	-	GI(Protien) :
PubChem	None	uM		STK33	-	GI(Protien) :
PubChem	Potency	uM	1.282	TDP1	-	GI(Protien) :
PubChem	Potency	uM	2.818	TDP1	-	GI(Protien) :
PubChem	Potency	uM	4.467	TDP1	-	GI(Protien) :
PubChem	None	uM		ABCB1	-	GI(Protien) :
PubChem	Potency	uM	8.912	ATXN2	-	GI(Protien) :
PubChem	None	uM		CRHBP	-	GI(Protien) :
PubChem	None	uM		CRHR2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	11.281	CYP19A1	-	GI(Protien) :
PubChem	None	uM		EPAS1	-	GI(Protien) :
PubChem	None	uM		IL1B	-	GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	5.108	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	5.654	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	5.654	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	5.955	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	6.513	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	9.688	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	16.360	NFE2L2	-	GI(Protien) :
PubChem	None	uM		NFKB1	-	GI(Protien) :
PubChem	None	uM		PAX8	-	GI(Protien) :
PubChem	Potency	uM	2.909	TDP1	-	GI(Protien) :
PubChem	Potency	uM	5.173	TDP1	-	GI(Protien) :
ChEMBL	Potency	nM	7943.300	GMNN	-	Target : CHEMBL1293278
ChEMBL	Potency	nM	10399.200	MTOR	-	Target : CHEMBL2842
ChEMBL	Activity	-		ABCB1	-	Target : CHEMBL4302
ChEMBL	Inhibition	-		ABCB1	-	Target : CHEMBL4302
ChEMBL	Inhibition	-		ABCC1	-	Target : CHEMBL3004
ChEMBL	Activity	-		ABCG2	-	Target : CHEMBL5393
ChEMBL	Inhibition	-		CYP1A2	-	Target : CHEMBL3356
ChEMBL	Inhibition	-		CYP2C19	-	Target : CHEMBL3622
ChEMBL	Inhibition	-		CYP2C9	-	Target : CHEMBL3397
ChEMBL	Inhibition	-		CYP2D6	-	Target : CHEMBL289
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		CYP3A4	-	Target : CHEMBL340
ChEMBL	Inhibition	-		JAK1	-	Target : CHEMBL2835
ChEMBL	Inhibition	-		JAK1	-	Target : CHEMBL2835
ChEMBL	Potency	nM	6513.100	NFE2L2	-	Target : CHEMBL1075094
ChEMBL	Inhibition	-		PPIA	-	Target : CHEMBL1949

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