Details of the Drug

General Information of Drug (ID: DM4TN73)

Drug Name

PMID26155854C57

Synonyms

GTPL8640; BDBM50096300

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

349.4

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C20H23N5O
IUPAC Name: 3-methyl-5-(5-methylpyridin-3-yl)-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
Canonical SMILES: CC1=CC(=CN=C1)C2=CN=C(C3=C2C=C(C(=O)N3)C)NC4CCNCC4
InChI: InChI=1S/C20H23N5O/c1-12-7-14(10-22-9-12)17-11-23-19(24-15-3-5-21-6-4-15)18-16(17)8-13(2)20(26)25-18/h7-11,15,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
InChIKey: PAGDGWOISBNVEC-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]

------------------------------------------------------------------------------------

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.