Details of the Drug

General Information of Drug (ID: DMM2TFX)

Drug Name

6-(Naphthalen-2-ylamino)-1H-pyrimidine-2,4-dione

Synonyms

CHEMBL124937; 6-(Naphthalen-2-ylamino)-1H-pyrimidine-2,4-dione; 21333-09-5; NSC212338; AC1L7G1P; Oprea1_822744; Oprea1_362386; DTXSID70309577; ZINC322361; BDBM50028361; NSC-212338

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

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

253.26

Logarithm of the Partition Coefficient (xlogp)

2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H11N3O2
IUPAC Name: 6-(naphthalen-2-ylamino)-1H-pyrimidine-2,4-dione
Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)NC3=CC(=O)NC(=O)N3
InChI: InChI=1S/C14H11N3O2/c18-13-8-12(16-14(19)17-13)15-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H3,15,16,17,18,19)
InChIKey: KADGSGKDRXSVOE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 309881
CAS Number: 21333-09-5
TTD ID: D0M9JU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase (TOP)	TT2GPK3	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Inhibitors of Bacillus subtilis DNA polymerase III. 6-Anilinouracils and 6-(alkylamino)uracils. J Med Chem. 1980 Jan;23(1):34-8.