Details of the Drug

General Information of Drug (ID: DMM5SI4)

Drug Name

PMID26155854C60

Synonyms

NP8; GTPL8641; BDBM50096282

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

365.4

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C20H23N5O2
IUPAC Name: 5-(5-methoxypyridin-3-yl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
Canonical SMILES: CC1=CC2=C(C(=NC=C2C3=CC(=CN=C3)OC)NC4CCNCC4)NC1=O
InChI: InChI=1S/C20H23N5O2/c1-12-7-16-17(13-8-15(27-2)10-22-9-13)11-23-19(18(16)25-20(12)26)24-14-3-5-21-6-4-14/h7-11,14,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
InChIKey: FPQQERRFPULCIK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
ATPase family AAA domain containing 2 (ATAD2)	TT9A0HI	ATAD2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Fragment-Based Discovery of Low-Micromolar ATAD2 Bromodomain Inhibitors. J Med Chem. 2015 Jul 23;58(14):5649-73.