Tan Lab | DSigDB

Gene Set: D4 : CTD - Dantrolene

Collection

D4 : CTD

Chemical Name

Dantrolene ( From PubChem : DANTROLENE )

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
314.253 g/mol	1	6	2.5304	True

Structure

InChI

InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20)/b15-7+

InChIKey

Links

Gene (14 / 27)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			CYP1A1		D003620
CTD	increases(activity)			CYP1A1		D003620
CTD	decreases(reaction)			CYP1A2		D003620
CTD	increases(activity)			CYP1A2		D003620
CTD	decreases(reaction)			EIF2S1		D003620
CTD	increases(phosphorylation)			EIF2S1		D003620
CTD	decreases(reaction)			HSPA5		D003620
CTD	increases(expression)			HSPA5		D003620
CTD	decreases(response to substance)			IGF1		D003620
CTD	decreases(response to substance)			IGF2		D003620
CTD	decreases(reaction)			IL10		D003620
CTD	increases(activity)			IL10		D003620
CTD	increases(expression)			IL10		D003620
CTD	decreases(activity)			KCNH2		D003620
CTD	decreases(reaction)			RYR1		D003620
CTD	increases(activity)			RYR1		D003620
CTD	increases(expression)			RYR1		D003620
CTD	increases(transport)			RYR1		D003620
PubChem	Potency	uM	10.000	MAPT	-	GI(Protien) :
PubChem	Potency	uM	14.125	MAPT	-	GI(Protien) :
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	Potency	nM	10000.000	MAPT	-	Target : CHEMBL1293224
ChEMBL	Potency	nM	14125.400	MAPT	-	Target : CHEMBL1293224

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