Details of the Drug

General Information of Drug (ID: DM5LUF4)

Drug Name

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

Synonyms

CHEMBL51694; 6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dione; STK374802; 21333-02-8; 6-[(4-chlorophenyl)amino]pyrimidine-2,4(1H,3H)-dione; NSC210499; AC1L7DC5; Oprea1_449957; Oprea1_000118; SCHEMBL5309531; 2,4(1H,3H)-Pyrimidinedione, 6-[(4-chlorophenyl)amino]-; DTXSID10308968; MolPort-002-117-140; ZINC169555; BDBM50028338; AKOS001620570; NSC-210499; MCULE-2076182094; BAS 00450419; ST50876537; 6-(4-chloroanilino)-1H-pyrimidine-2,4-dione; AB00091363-01; 6-(4-chlorophenylamino)pyrimidine-2,4(1H,3H)-dione

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)

237.64

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C10H8ClN3O2
IUPAC Name: 6-(4-chloroanilino)-1H-pyrimidine-2,4-dione
Canonical SMILES: C1=CC(=CC=C1NC2=CC(=O)NC(=O)N2)Cl
InChI: InChI=1S/C10H8ClN3O2/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: POKMZWROIKHVLE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 308646
CAS Number: 21333-02-8
TTD ID: D02NCY

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]

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

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.