Tan Lab | DSigDB

Gene Set: D4 : Boss - azotoyperite

Collection

D4 : Boss

Chemical Name

azotoyperite ( From PubChem : CHLORMETHINE HYDROCHLORIDE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
192.514 g/mol	1	1	2.1978	True

Structure

InChI

InChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H

InChIKey

Links

Gene (24 / 34)

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Source	Type	Unit	Value	Gene	PMID	Other
BOSS	Text Mining			ALB
BOSS	Text Mining			ALDH1L1
BOSS	Text Mining			ATM
BOSS	Text Mining			AURKB
BOSS	Text Mining			CDKN2A
BOSS	Text Mining			CYP2C8
BOSS	Text Mining			HBB
BOSS	Text Mining			MAPK3
BOSS	Text Mining			MMP9
BOSS	Text Mining			MPO
BOSS	Text Mining			MTRNR2L2
BOSS	Text Mining			PIGA
BOSS	Text Mining			ROS1
BOSS	Text Mining			SLC26A1
BOSS	Text Mining			TAF8
BOSS	Text Mining			TP53
BOSS	Text Mining			TSC1
BOSS	Text Mining			TXN
BOSS	Text Mining			XDH
PubChem	AR Potency (uM)	uM	31.017	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	38.492	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	12.172	CYP19A1	-	GI(Protien) :
PubChem	ER Potency (uM)	uM	25.115	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	26.603	ESR1	-	GI(Protien) :
PubChem	Potency	uM	11.220	HTT	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	9.669	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	11.714	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	13.332	NFE2L2	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	14.959	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	33.492	NFE2L2	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	37.578	NFE2L2	-	GI(Protien) :
PubChem	Potency	uM	12.589	TP53	-	GI(Protien) :
ChEMBL	Potency	nM	11220.200	HTT	-	Target : CHEMBL5514
ChEMBL	Potency	nM	12589.300	TP53	-	Target : CHEMBL4096

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