Details of the Drug

General Information of Drug (ID: DMIAQUC)

Drug Name

6-p-Tolylamino-1H-pyrimidine-2,4-dione

Synonyms

CHEMBL57397; 6-p-Tolylamino-1H-pyrimidine-2,4-dione; 6948-11-4; 6-[(4-methylphenyl)amino]pyrimidine-2,4(1h,3h)-dione; NSC55724; AC1Q6LTF; CBMicro_020485; Oprea1_316803; Oprea1_212741; SCHEMBL5298937; AC1L6E57; CTK5D0097; 2,4(1H,3H)-Pyrimidinedione, 6-[(4-methylphenyl)amino]-; MolPort-003-722-204; ZINC227430; CCG-8301; NSC-55724; BDBM50022161; AKOS001620102; MCULE-6764538026; BIM-0020481.P001; EU-0034750; SR-01000400155; SR-01000400155-1

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)

217.22

Logarithm of the Partition Coefficient (xlogp)

1.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C11H11N3O2
IUPAC Name: 6-(4-methylanilino)-1H-pyrimidine-2,4-dione
Canonical SMILES: CC1=CC=C(C=C1)NC2=CC(=O)NC(=O)N2
InChI: InChI=1S/C11H11N3O2/c1-7-2-4-8(5-3-7)12-9-6-10(15)14-11(16)13-9/h2-6H,1H3,(H3,12,13,14,15,16)
InChIKey: QKHUPPJBNXWLJB-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 244640
CAS Number: 6948-11-4
TTD ID: D0X6LS

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.