Details of the Drug | DrugMAP

General Information of Drug (ID: DMNIE4M)

Drug Name	AKOS020330656
Synonyms	CHEMBL3774545; SCHEMBL15820618; RFUZGPWCXINBNW-UHFFFAOYSA-N; BDBM50153334; AKOS020330656; ZINC123452149; 3-{[(5-methylthiophen-2-yl)methyl]amino}pyridine-4-carboxylic acid
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			248.3
	Logarithm of the Partition Coefficient (xlogp)			2.5
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C12H12N2O2S IUPAC Name 3-[(5-methylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid Canonical SMILES CC1=CC=C(S1)CNC2=C(C=CN=C2)C(=O)O InChI InChI=1S/C12H12N2O2S/c1-8-2-3-9(17-8)6-14-11-7-13-5-4-10(11)12(15)16/h2-5,7,14H,6H2,1H3,(H,15,16) InChIKey RFUZGPWCXINBNW-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 77106317 TTD ID D0HT9Q

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 5A (KDM5A)	TTIG67W	KDM5A_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Histone demethylase inhibitors. US10179769.