Details of the Drug

General Information of Drug (ID: DMISV5A)

Drug Name

6-(3-Iodo-phenylamino)-1H-pyrimidine-2,4-dione

Synonyms

CHEMBL300465; 72255-50-6; 6-(3-Iodo-phenylamino)-1H-pyrimidine-2,4-dione; CTK2H2675; DTXSID50658212; BDBM50028331; 6-(3-Iodoanilino)pyrimidine-2,4(1H,3H)-dione; 2,4(1H,3H)-Pyrimidinedione, 6-[(3-iodophenyl)amino]-

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)

329.09

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: C10H8IN3O2
IUPAC Name: 6-(3-iodoanilino)-1H-pyrimidine-2,4-dione
Canonical SMILES: C1=CC(=CC(=C1)I)NC2=CC(=O)NC(=O)N2
InChI: InChI=1S/C10H8IN3O2/c11-6-2-1-3-7(4-6)12-8-5-9(15)14-10(16)13-8/h1-5H,(H3,12,13,14,15,16)
InChIKey: NUGFPABWAOETRO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44297894
CAS Number: 72255-50-6
TTD ID: D0QH5P

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.