Details of the Drug

General Information of Drug (ID: DMT9FQN)

Drug Name
5-Hydroxymethyl-3-pyrrol-1-yl-oxazolidin-2-one
Synonyms CHEMBL17653; 406934-09-6; 2-Oxazolidinone, 5-(hydroxymethyl)-3-(1H-pyrrol-1-yl)-, (5R)-; 5-Hydroxymethyl-3-pyrrol-1-yl-oxazolidin-2-one; CTK1C9350; DTXSID00452964; BDBM50110714; BDBM50370193
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) 182.18
Logarithm of the Partition Coefficient (xlogp) 0
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C8H10N2O3
IUPAC Name
(5S)-5-(hydroxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one
Canonical SMILES
C1[C@H](OC(=O)N1N2C=CC=C2)CO
InChI
InChI=1S/C8H10N2O3/c11-6-7-5-10(8(12)13-7)9-3-1-2-4-9/h1-4,7,11H,5-6H2/t7-/m0/s1
InChIKey
SITMGBVDSOSSTH-ZETCQYMHSA-N
Cross-matching ID
PubChem CID
11095251
TTD ID
D08QVY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type A (MAO-A) TT3WG5C AOFA_HUMAN Inhibitor [1]
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_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
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Monoamine oxidase type A (MAO-A) DTT MAOA 8.14E-01 0.05 0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 3-(1H-Pyrrol-1-yl)-2-oxazolidinones as reversible, highly potent, and selective inhibitors of monoamine oxidase type A. J Med Chem. 2002 Mar 14;45(6):1180-3.