Tan Lab | DSigDB

Gene Set: D4 : TTD - 6-bromo-N-(3-chlorophenyl)quinazolin-4-amine

Collection

D4 : TTD

Chemical Name

6-bromo-N-(3-chlorophenyl)quinazolin-4-amine ( From PubChem : 6-BROMO-N-(3-CHLOROPHENYL)QUINAZOLIN-4-AMINE )

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
334.598 g/mol	1	2	4.8623	True

Structure

InChI

InChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)

InChIKey

Links

Gene (16 / 27)

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Source	Type	Unit	Value	Gene	PMID	Other
TTD	Inhibitor			GRM1		Clinical trial target
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	None	uM		CFTR	-	GI(Protien) :
PubChem	IC50_CF-PAF_Mean	uM		CFTR	-	GI(Protien) :
PubChem	None	uM		CYP1A2	-	GI(Protien) :
PubChem	None	uM		CYP2C19	-	GI(Protien) :
PubChem	None	uM		CYP2C9	-	GI(Protien) :
PubChem	None	uM		CYP3A4	-	GI(Protien) :
PubChem	AC50_uM	uM	51.910	GSK3A	-	GI(Protien) :
PubChem	Potency	uM	11.220	HTT	-	GI(Protien) :
PubChem	Potency	uM	7.943	IDH1	-	GI(Protien) :
PubChem	None	uM		IL1B	-	GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM2	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	None	uM		MDM4	-	GI(Protien) :
PubChem	IC50	uM		PHOSPHO1	-	GI(Protien) :
PubChem	Potency	uM	100.000	POLI	-	GI(Protien) :
PubChem	IC50	uM	6.275	PRNP	-	GI(Protien) :
PubChem	None	uM		PRNP	-	GI(Protien) :
PubChem	None	uM		PRNP	-	GI(Protien) :
PubChem	Potency	uM	25.929	TDP1	-	GI(Protien) :
ChEMBL	AC50	nM	562.340	CYP1A2	-	Target : CHEMBL3356
ChEMBL	AC50	nM	5011.870	CYP2C19	-	Target : CHEMBL3622
ChEMBL	AC50	nM	14125.400	CYP2C9	-	Target : CHEMBL3397
ChEMBL	AC50	nM	14125.400	CYP3A4	-	Target : CHEMBL340
ChEMBL	Potency	nM	11220.200	HTT	-	Target : CHEMBL5514

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