Tan Lab | DSigDB

Gene Set: D4 : CTD - JM 3100

Collection

D4 : CTD

Chemical Name

JM 3100 ( From PubChem : BICYCLAM )

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
794.469 g/mol	14	8	8.6804	False(1/4)

Structure

InChI

InChI=1S/C28H54N8.8ClH/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36;;;;;;;;/h5-8,29-34H,1-4,9-26H2;8*1H

InChIKey

UEUPDYPUTTUXLJ-UHFFFAOYSA-N

Links

Gene (7 / 28)

⊖ Less

Source	Type	Unit	Value	Gene	PMID	Other
CTD	decreases(reaction)			AKT1		C088327
CTD	increases(phosphorylation)			AKT1		C088327
CTD	affects(localization)			CXCL12		C088327
CTD	decreases(reaction)			CXCL12		C088327
CTD	decreases(reaction)			CXCL12		C088327
CTD	increases(phosphorylation)			CXCL12		C088327
CTD	decreases(expression)			CXCL12		C088327
CTD	affects(binding)			CXCR4		C088327
CTD	decreases(activity)			CXCR4		C088327
CTD	affects(localization)			CXCR4		C088327
CTD	decreases(reaction)			CXCR4		C088327
CTD	decreases(activity)			CXCR4		C088327
CTD	decreases(reaction)			NOS3		C088327
CTD	increases(phosphorylation)			NOS3		C088327
PubChem	Potency	uM	22.387	KMT2A	-	GI(Protien) :
PubChem	Potency	uM	31.623	KMT2A	-	GI(Protien) :
PubChem	Potency	uM	22.387	MEN1	-	GI(Protien) :
PubChem	Potency	uM	31.623	MEN1	-	GI(Protien) :
ChEMBL	Activity	-		CCR2	-	Target : CHEMBL4015
ChEMBL	Activity	-		CCR2	-	Target : CHEMBL4015
ChEMBL	Activity	-		CXCR4	-	Target : CHEMBL2107
ChEMBL	Activity	-		CXCR4	-	Target : CHEMBL2107
ChEMBL	Activity	-		CXCR4	-	Target : CHEMBL2107
ChEMBL	Inhibition	-		CXCR4	-	Target : CHEMBL2107
ChEMBL	Potency	nM	31622.800	KMT2A	-	Target : CHEMBL2093861
ChEMBL	Potency	nM	22387.200	KMT2A	-	Target : CHEMBL2093861
ChEMBL	Potency	nM	31622.800	MEN1	-	Target : CHEMBL2093861
ChEMBL	Potency	nM	22387.200	MEN1	-	Target : CHEMBL2093861

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