Tan Lab | DSigDB

Gene Set: D4 : TTD - AM-630

Collection

D4 : TTD

Chemical Name

AM-630 ( From PubChem : AM-630 )

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
504.361 g/mol	0	5	4.064	False(3/4)

Structure

InChI

InChI=1S/C23H25IN2O3/c1-16-22(23(27)17-3-6-19(28-2)7-4-17)20-8-5-18(24)15-21(20)26(16)10-9-25-11-13-29-14-12-25/h3-8,15H,9-14H2,1-2H3

InChIKey

JHOTYHDSLIUKCJ-UHFFFAOYSA-N

Links

Gene (6 / 13)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			CNR1		Successful target
TTD	Inhibitor			CNR2		Clinical trial target
PubChem	Potency	uM	5.012	ALDH1A1	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	Potency	uM	5.012	CYP3A4	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	Potency	uM	6.310	TSHR	-	GI(Protien) :
ChEMBL	Potency	nM	5011.900	ALDH1A1	-	Target : CHEMBL3577
ChEMBL	AC50	nM	15848.900	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	5011.870	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	5011.900	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	6309.600	TSHR	-	Target : CHEMBL1963

Download gene sets

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Contact us
Tan Lab , Mail Stop 8117
12801 East 17th Avenue
Division of Medical Oncology , Department of Medicine
University of Colorado School of Medicine
Aurora, CO 80045, USA

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