Tan Lab | DSigDB

Gene Set: D1 - Approved - CEPHALOTHIN

Collection

D1 : Approved

Chemical Name

CEPHALOTHIN

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
396.438 g/mol	2	10	0.9211	True

Structure

InChI

InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1

InChIKey

XIURVHNZVLADCM-IUODEOHRSA-N

Links

Gene (11 / 26)

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Source	Type	Unit	Value	Gene	PMID	Other
PubChem	IC50	uM	2.786	CTDSP1	-	GI(Protien) :
PubChem		uM		CTDSP1	-	GI(Protien) :
PubChem		uM		CTDSP1	-	GI(Protien) :
PubChem		uM		CTDSP1	-	GI(Protien) :
PubChem	IC50	uM	7.280	DNMT1	-	GI(Protien) :
PubChem		uM		DNMT1	-	GI(Protien) :
PubChem		uM		DNMT1	-	GI(Protien) :
PubChem	Potency	uM	1.333	ESR1	-	GI(Protien) :
PubChem	Potency	uM	8.485	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	8.809	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	33.489	HSPB1	-	GI(Protien) :
PubChem		uM		PAFAH2	-	GI(Protien) :
PubChem	Potency	uM	5.358	POLH	-	GI(Protien) :
PubChem	Potency	uM	7.080	POLH	-	GI(Protien) :
PubChem	Potency	uM	15.003	POLI	-	GI(Protien) :
PubChem	Potency	uM	31.623	POLI	-	GI(Protien) :
PubChem	Potency	uM	50.119	POLK	-	GI(Protien) :
PubChem	Potency	uM	50.119	WRN	-	GI(Protien) :
ChEMBL	IC50	nM	2786.000	CTDSP1	-	Target : CHEMBL1795098
ChEMBL	IC50	nM	7280.000	DNMT1	-	Target : CHEMBL1993
ChEMBL	Potency	nM	7519.300	EHMT2	-	Target : CHEMBL6032
ChEMBL	Potency	nM	79432.800	KDM4A	-	Target : CHEMBL5896
ChEMBL	Potency	nM	7079.500	POLH	-	Target : CHEMBL5542
ChEMBL	Potency	nM	31622.800	POLI	-	Target : CHEMBL5391
ChEMBL	Potency	nM	50118.700	POLK	-	Target : CHEMBL5365
ChEMBL	Potency	nM	50118.700	WRN	-	Target : CHEMBL2146312

Download gene sets

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