Tan Lab | DSigDB

Gene Set: D4 : CTD - Estramustine

Collection

D4 : CTD

Chemical Name

Estramustine ( From PubChem : ESTRAMUSTINE )

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

Molecular Weight	Hydrogen Bond Donor Count	Hydrogen Bond Acceptor Count	cLogP	Lipinski Rule
440.403 g/mol	1	4	5.182	False(3/4)

Structure

InChI

InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1

InChIKey

FRPJXPJMRWBBIH-RBRWEJTLSA-N

Links

Gene (11 / 18)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	increases(phosphorylation)			BCL2		D004961
CTD	increases(expression)			KRT18		D004961
PubChem	Ratio Potency (uM)	uM	11.534	AR	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	18.996	AR	-	GI(Protien) :
PubChem	Potency	uM	14.125	BLM	-	GI(Protien) :
PubChem	Potency	uM	30.397	BLM	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.004	ESR1	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	0.006	ESR1	-	GI(Protien) :
PubChem	Ratio Potency (uM)	uM	0.007	ESR1	-	GI(Protien) :
PubChem	Potency	uM	12.589	KAT2A	-	GI(Protien) :
PubChem	Potency-Replicate_1	uM	21.130	NR1H4	-	GI(Protien) :
PubChem	Potency	uM	8.912	POLK	-	GI(Protien) :
PubChem	Potency	uM	50.119	USP1	-	GI(Protien) :
PubChem	Potency	uM	50.119	VDR	-	GI(Protien) :
ChEMBL	Potency	nM	30396.700	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	14125.400	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	12589.300	KAT2A	-	Target : CHEMBL5501
ChEMBL	Potency	nM	7250.300	TDP1	-	Target : CHEMBL1075138

Download gene sets

gmt, text, Detailed text