Details of the Drug | DrugMAP

General Information of Drug (ID: DMGQMCZ)

Drug Name	Hydroxyqunoline analog 4
Synonyms	PMID25468267-Compound-44
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			349.4
	Logarithm of the Partition Coefficient (xlogp)			3.1
	Rotatable Bond Count (rotbonds)			6
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C21H23N3O2 IUPAC Name N-[3-(dimethylamino)propyl]-4-(8-hydroxyquinolin-6-yl)benzamide Canonical SMILES CN(C)CCCNC(=O)C1=CC=C(C=C1)C2=CC(=C3C(=C2)C=CC=N3)O InChI InChI=1S/C21H23N3O2/c1-24(2)12-4-11-23-21(26)16-8-6-15(7-9-16)18-13-17-5-3-10-22-20(17)19(25)14-18/h3,5-10,13-14,25H,4,11-12H2,1-2H3,(H,23,26) InChIKey QDBVSOZTVKXUES-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 44143209 TTD ID D0VS3A

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 4E (KDM4E)	TTWAQBO	KDM4E_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Bcl-2-like protein 11 (BCL2L11)	OTNQQWFJ	B2L11_HUMAN	Gene/Protein Processing	[2]
Caspase-3 (CASP3)	OTIJRBE7	CASP3_HUMAN	Protein Interaction/Cellular Processes	[2]
Cyclic AMP-dependent transcription factor ATF-3 (ATF3)	OTC1UOHP	ATF3_HUMAN	Gene/Protein Processing	[2]
Cyclic AMP-dependent transcription factor ATF-4 (ATF4)	OTRFV19J	ATF4_HUMAN	Gene/Protein Processing	[2]
DNA damage-inducible transcript 3 protein (DDIT3)	OTI8YKKE	DDIT3_HUMAN	Gene/Protein Processing	[2]
Eukaryotic translation initiation factor 2 subunit 1 (EIF2S1)	OTM0GDTP	IF2A_HUMAN	Post-Translational Modifications	[2]
Tumor necrosis factor receptor superfamily member 10B (TNFRSF10B)	OTA1CPBV	TR10B_HUMAN	Gene/Protein Processing	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	KDM4 histone demethylase inhibitors for anti-cancer agents: a patent review.Expert Opin Ther Pat. 2015 Feb;25(2):135-44.
2	Inhibition of histone demethylase KDM4 by ML324 induces apoptosis through the unfolded protein response and Bim upregulation in hepatocellular carcinoma cells. Chem Biol Interact. 2022 Feb 1;353:109806. doi: 10.1016/j.cbi.2022.109806. Epub 2022 Jan 7.