Tan Lab | DSigDB

Gene Set: D4 : TTD - Aminopurvalanol

Collection

D4 : TTD

Chemical Name

Aminopurvalanol ( From PubChem : AMINOPURVALANOL A )

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
403.909 g/mol	4	7	4.5424	True

Structure

InChI

InChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m0/s1

InChIKey

RAMROQQYRRQPDL-HNNXBMFYSA-N

Links

Gene (7 / 16)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CDK2		Clinical trial target
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	19.953	CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	Potency	uM	0.316	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	None	uM		MAPT	-	GI(Protien) :
PubChem	Potency	uM	2.986	TDP1	-	GI(Protien) :
PubChem	Potency	uM	4.732	TDP1	-	GI(Protien) :
PubChem	None	uM		SLK	-	GI(Protien) :
ChEMBL	AC50	nM	501.190	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	19952.600	CYP2C9	-	Target : CHEMBL3397
ChEMBL	Potency	nM	19952.600	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	316.230	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	316.200	CYP3A4	-	Target : CHEMBL340

Download gene sets

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