Details of the Drug

General Information of Drug (ID: DMNXSM2)

Drug Name
4-amino-1,2,5-oxadiazole-3-carboximidamide
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) 127.11
Logarithm of the Partition Coefficient (xlogp) -0.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C3H5N5O
IUPAC Name
4-amino-1,2,5-oxadiazole-3-carboximidamide
Canonical SMILES
C1(=NON=C1N)C(=N)N
InChI
InChI=1S/C3H5N5O/c4-2(5)1-3(6)8-9-7-1/h(H3,4,5)(H2,6,8)
InChIKey
YHIJOLKAHGHVML-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
45078766
TTD ID
D0YU9L

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Indoleamine 2,3-dioxygenase 1 (IDO1) TTZJYKH I23O1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Discovery of potent competitive inhibitors of indoleamine 2,3-dioxygenase with in vivo pharmacodynamic activity and efficacy in a mouse melanoma mo... J Med Chem. 2009 Dec 10;52(23):7364-7.