Details of the Drug

General Information of Drug (ID: DMH908V)

Drug Name
5-Bromomethyl-oxazolidin-(2Z)-ylideneamine
Synonyms
5-Bromomethyl-4,5-dihydro-oxazol-2-ylamine; CHEMBL447832; 52886-60-9; 5-(bromomethyl)-4,5-dihydro-1,3-oxazol-2-amine; AC1MJII5; 5-Bromomethyl-oxazolidin-(2Z)-ylideneamine; SCHEMBL11817450; MolPort-001-940-341; 5-(Bromomethyl)oxazolidine-2-imine; SBB010634; BDBM50138186; AKOS016344418; AKOS000301813; BAS 00615750; 5-(bromomethyl)-1,3-oxazoline-2-ylamine; BB 0261596
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) 179.02
Logarithm of the Partition Coefficient (xlogp) 0.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C4H7BrN2O
IUPAC Name
5-(bromomethyl)-4,5-dihydro-1,3-oxazol-2-amine
Canonical SMILES
C1C(OC(=N1)N)CBr
InChI
InChI=1S/C4H7BrN2O/c5-1-3-2-7-4(6)8-3/h3H,1-2H2,(H2,6,7)
InChIKey
DCJDVEKKUOXALB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3112983
TTD ID
D05ZYA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nitric-oxide synthase brain (NOS1) TTZUFI5 NOS1_HUMAN Inhibitor [1]
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.