Tan Lab | DSigDB

Gene Set: D4 : CTD - methoctramine

Collection

D4 : CTD

Chemical Name

methoctramine ( From PubChem : METHOCTRAMINE )

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
728.747 g/mol	8	6	11.9954	False(1/4)

Structure

InChI

InChI=1S/C36H62N4O2.4ClH/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2;;;;/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3;4*1H

InChIKey

CDKGGOUDHGSFAF-UHFFFAOYSA-N

Links

Gene (9 / 18)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	affects(binding)			CHRM1		C054938
CTD	decreases(reaction)			CHRM1		C054938
CTD	affects(binding)			CHRM2		C054938
CTD	decreases(reaction)			CHRM2		C054938
CTD	affects(binding)			CHRM4		C054938
CTD	decreases(reaction)			CHRM4		C054938
CTD	affects(binding)			CHRM5		C054938
CTD	decreases(reaction)			CHRM5		C054938
CTD	decreases(activity)			ODC1		C054938
CTD	increases(activity)			SAT1		C054938
PubChem	Potency	uM	17.783	BLM	-	GI(Protien) :
PubChem	Potency	uM	17.783	BLM	-	GI(Protien) :
PubChem	Potency	uM	50.119	MPHOSPH8	-	GI(Protien) :
PubChem	Potency	uM	12.589	NPSR1	-	GI(Protien) :
ChEMBL	Potency	nM	17782.800	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	17782.800	BLM	-	Target : CHEMBL1293237
ChEMBL	Potency	nM	50118.700	MPHOSPH8	-	Target : CHEMBL1741210
ChEMBL	Potency	nM	12589.300	NPSR1	-	Target : CHEMBL5162

Download gene sets

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