Details of the Drug

General Information of Drug (ID: DMKSIVL)

Drug Name

Selenazofurin

Synonyms

Selenazofurin; 83705-13-9; UNII-I5R2V02E8Z; CI-935; 4-Selenazolecarboxamide, 2-beta-D-ribofuranosyl-; NSC 340847; BRN 4198668; I5R2V02E8Z; 2-beta-D-Ribofuranosyl-4-selenazolecarboxamide; 2-beta-D-Ribofuranosylselenazole-4-Carboxamide; C9H12N2O5Se; NSC340847; NSC-340847; RSC II; AC1L2P7R; SCHEMBL3051767; CHEMBL3144001; DTXSID80232569; CKMBACZHCFMPLQ-DBRKOABJSA-N; 2-ribofuranosylselenazole-4-carboxamide; PD-111232; LS-144766; 2 beta-ribofuranosylselenazole-4-carboxamide

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

307.17

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

3

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C9H12N2O5Se
IUPAC Name: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-selenazole-4-carboxamide
Canonical SMILES: C1=C(N=C([Se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
InChI: InChI=1S/C9H12N2O5Se/c10-8(15)3-2-17-9(11-3)7-6(14)5(13)4(1-12)16-7/h2,4-7,12-14H,1H2,(H2,10,15)/t4-,5-,6-,7-/m1/s1
InChIKey: CKMBACZHCFMPLQ-DBRKOABJSA-N

Cross-matching ID

PubChem CID: 100665
CAS Number: 83705-13-9
TTD ID: D03LIS

Drug-Molecule Activity Atlas (DMA)^NEW

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inosine-5'-monophosphate dehydrogenase 1 (IMPDH1)	TTL7C8Q	IMDH1_HUMAN	Inhibitor	[1]

Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	In vitro and in vivo antiproliferative activity of IPCAR, a new pyrazole nucleoside analog. Anticancer Res. 1998 Jul-Aug;18(4A):2623-30.