General Information of Drug (ID: DMDC84U)

Drug Name
(4S,5R)-4,5-Dipropyl-oxazolidin-(2Z)-ylideneamine
Synonyms CHEMBL322085; (4S,5R)-4,5-Dipropyl-oxazolidin-(2Z)-ylideneamine; BDBM50138197
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) 170.25
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C9H18N2O
IUPAC Name
(4S,5R)-4,5-dipropyl-4,5-dihydro-1,3-oxazol-2-amine
Canonical SMILES
CCC[C@H]1[C@H](OC(=N1)N)CCC
InChI
InChI=1S/C9H18N2O/c1-3-5-7-8(6-4-2)12-9(10)11-7/h7-8H,3-6H2,1-2H3,(H2,10,11)/t7-,8+/m0/s1
InChIKey
LRHNWJTUXJXJRP-JGVFFNPUSA-N
Cross-matching ID
PubChem CID
44337347
TTD ID
D03YRO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nitric-oxide synthase inducible (NOS2) TTF10I9 NOS2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Nitric-oxide synthase inducible (NOS2) DTT NOS2 4.24E-02 -0.27 -0.88
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 4,5-Disubstituted-1,3-oxazolidin-2-imine derivatives: a new class of orally bioavailable nitric oxide synthase inhibitor. Bioorg Med Chem Lett. 2004 Jan 19;14(2):313-6.