Tan Lab | DSigDB

Gene Set: D4 : CTD - rimcazole

Collection

D4 : CTD

Chemical Name

rimcazole ( From PubChem : RIMCAZOLE )

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
321.459 g/mol	1	3	4.1335	True

Structure

InChI

InChI=1S/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3/t16-,17+

InChIKey

Links

Gene (7 / 19)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(response to substance)			RELA		C034931
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	3.162	CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	Potency	uM	12.589	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	7.943	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	25.119	TP53	-	GI(Protien) :
PubChem	None	uM		DRD1	-	GI(Protien) :
ChEMBL	AC50	nM	794.330	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	3162.280	CYP2C19	-	Target : CHEMBL3622
ChEMBL	Potency	nM	3162.300	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	12589.200	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	12589.300	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	7943.280	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	7943.300	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	25118.900	TP53	-	Target : CHEMBL4096

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