Details of the Drug

General Information of Drug (ID: DMSH107)

Drug Name

6-(Indan-5-ylamino)-1H-pyrimidine-2,4-dione

Synonyms

CHEMBL54950; 64054-69-9; 6-(Indan-5-ylamino)-1H-pyrimidine-2,4-dione; 6-[(5-Indanyl)amino]uracil; SCHEMBL3971654; CTK2A7431; DTXSID80591769; BDBM50022163; ZINC13798089; 6-[(3,4-trimethylene)anilino]uracil; 2,4(1H,3H)-Pyrimidinedione, 6-[(2,3-dihydro-1H-inden-5-yl)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)

243.26

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H13N3O2
IUPAC Name: 6-(2,3-dihydro-1H-inden-5-ylamino)-1H-pyrimidine-2,4-dione
Canonical SMILES: C1CC2=C(C1)C=C(C=C2)NC3=CC(=O)NC(=O)N3
InChI: InChI=1S/C13H13N3O2/c17-12-7-11(15-13(18)16-12)14-10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H3,14,15,16,17,18)
InChIKey: CVUMGFDAIXWWCV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 17960612
CAS Number: 64054-69-9
TTD ID: D0C1VA

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.