Tan Lab | DSigDB

Gene Set: D4 : Boss - suramin, hexasodium salt

Collection

D4 : Boss

Chemical Name

suramin, hexasodium salt ( From PubChem : SURAMIN )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
1297.28 g/mol	12	29	13.666	False(0/4)

Structure

InChI

InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)

InChIKey

FIAFUQMPZJWCLV-UHFFFAOYSA-N

Links

Gene (39 / 46)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			APRT
BOSS	Text Mining			ATP1B1
BOSS	Text Mining			ATP8A2
BOSS	Text Mining			AURKB
BOSS	Text Mining			CASP3
BOSS	Text Mining			DDR2
BOSS	Text Mining			EGF
BOSS	Text Mining			EGFR
BOSS	Text Mining			EPHB2
BOSS	Text Mining			GPR182
BOSS	Text Mining			IL6
BOSS	Text Mining			MAPK3
BOSS	Text Mining			MBTPS1
BOSS	Text Mining			P2RY2
BOSS	Text Mining			P2RY2
BOSS	Text Mining			P2RY6
BOSS	Text Mining			PANX1
BOSS	Text Mining			POLD4
BOSS	Text Mining			PRB2
BOSS	Text Mining			PRDX2
BOSS	Text Mining			PRRT2
BOSS	Text Mining			ROCK1
BOSS	Text Mining			WDTC1
PubChem	Potency	uM	1.413	EHMT2	-	GI(Protien) :
PubChem	Potency	uM	8.912	GLS	-	GI(Protien) :
PubChem	Potency	uM	14.125	KMT2A	-	GI(Protien) :
PubChem	Potency	uM	0.032	POLK	-	GI(Protien) :
PubChem	Potency	uM	7.943	USP1	-	GI(Protien) :
PubChem	Potency	uM	35.481	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	1995.300	CBX1	-	Target : CHEMBL1741193
ChEMBL	Potency	nM	1412.500	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	281.800	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	335.900	FEN1	-	Target : CHEMBL5027
ChEMBL	Potency	nM	7943.300	HSD17B10	-	Target : CHEMBL4159
ChEMBL	Potency	nM	14125.400	KMT2A	-	Target : CHEMBL1293299
ChEMBL	Potency	nM	1888.800	MPHOSPH8	-	Target : CHEMBL1741210
ChEMBL	Potency	nM	425.600	PIN1	-	Target : CHEMBL2288
ChEMBL	Potency	nM	2511.900	RECQL	-	Target : CHEMBL1293236
ChEMBL	Potency	nM	19952.600	RECQL	-	Target : CHEMBL1293236
ChEMBL	Inhibition	-		SIRT1	-	Target : CHEMBL4506
ChEMBL	Inhibition	-		SIRT3	-	Target : CHEMBL4461
ChEMBL	Inhibition	-		SIRT5	-	Target : CHEMBL2163183
ChEMBL	Potency	nM	11220.200	TDP1	-	Target : CHEMBL1075138
ChEMBL	Potency	nM	4466.800	TDP1	-	Target : CHEMBL1075138
ChEMBL	Potency	nM	2511.900	TDP1	-	Target : CHEMBL1075138
ChEMBL	Potency	nM	3288.500	USP2	-	Target : CHEMBL1293227

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