Tan Lab | DSigDB

Gene Set: D4 : TTD - roscovitine

Collection

D4 : TTD

Chemical Name

roscovitine ( From PubChem : ROSCOVITINE )

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
354.449 g/mol	3	7	3.3481	True

Structure

InChI

InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1

InChIKey

BTIHMVBBUGXLCJ-OAHLLOKOSA-N

Links

Gene (13 / 23)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Multitarget			CDK1		Clinical trial target
TTD	Inhibitor			CDK1		Clinical trial target
TTD	Drug(s)			CDK1		Clinical trial target
TTD	Multitarget			CDK2		Clinical trial target
TTD	Inhibitor			CDK2		Clinical trial target
TTD	Drug(s)			CDK2		Clinical trial target
TTD	Inhibitor			CDK5		Research target
TTD	Multitarget			CDK7		Clinical trial target
TTD	Inhibitor			CDK7		Clinical trial target
TTD	Drug(s)			CDK7		Clinical trial target
PubChem	None	uM		GEM	-	GI(Protien) :
PubChem	Potency	uM	12.589	SMN2	-	GI(Protien) :
PubChem	Potency	uM	17.783	SMN2	-	GI(Protien) :
PubChem	Potency	uM	22.025	TDP1	-	GI(Protien) :
PubChem	Potency	uM	24.712	TDP1	-	GI(Protien) :
ChEMBL	Inhibition	-		CCNA2	-	Target : CHEMBL2582
ChEMBL	Inhibition	-		CCNB1	-	Target : CHEMBL2412
ChEMBL	Inhibition	-		CCND1	-	Target : CHEMBL3610
ChEMBL	Inhibition	-		CDK2	-	Target : CHEMBL301
ChEMBL	Inhibition	-		RB1	-	Target : CHEMBL5288
ChEMBL	Potency	nM	17782.800	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Potency	nM	12589.300	SMN1; SMN2	-	Target : CHEMBL1293232
ChEMBL	Activity	-		TP53	-	Target : CHEMBL4096

Download gene sets

gmt, text, Detailed text