Details of the Drug

General Information of Drug (ID: DMCYQDU)

Drug Name

6-(4-Bromo-phenylamino)-1H-pyrimidine-2,4-dione

Synonyms

CHEMBL293964; 6-(4-Bromo-phenylamino)-1H-pyrimidine-2,4-dione; 21333-03-9; NSC212333; Cambridge id 5630405; AC1L7G1A; Oprea1_831727; Oprea1_666298; DTXSID70309572; 2,4(1H,3H)-Pyrimidinedione, 6-[(4-bromophenyl)amino]-; MolPort-001-898-229; ZINC245008; BDBM50028349; AKOS000541604; MCULE-6634356270; NSC-212333; BAS 00450423; 6-(4-bromoanilino)-1H-pyrimidine-2,4-dione

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)

282.09

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H8BrN3O2
IUPAC Name: 6-(4-bromoanilino)-1H-pyrimidine-2,4-dione
Canonical SMILES: C1=CC(=CC=C1NC2=CC(=O)NC(=O)N2)Br
InChI: InChI=1S/C10H8BrN3O2/c11-6-1-3-7(4-2-6)12-8-5-9(15)14-10(16)13-8/h1-5H,(H3,12,13,14,15,16)
InChIKey: KVJLEUZMCGNFGQ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 309876
CAS Number: 21333-03-9
TTD ID: D0D8QY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Herpes simplex virus DNA polymerase UL30 (HSV UL30)	TTIU7X1	DPOL_HHV11	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.