Details of the Drug

General Information of Drug (ID: DMJ1HX2)

Drug Name

5-Methoxymethyl-3-pyrrol-1-yl-oxazolidin-2-one

Synonyms

CHEMBL18334; 5-Methoxymethyl-3-pyrrol-1-yl-oxazolidin-2-one; BDBM50110719; 2-Oxazolidinone, 5-(methoxymethyl)-3-(1H-pyrrol-1-yl)-, (5R)-; 406934-10-9

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)

196.2

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C9H12N2O3
IUPAC Name: (5S)-5-(methoxymethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one
Canonical SMILES: COC[C@@H]1CN(C(=O)O1)N2C=CC=C2
InChI: InChI=1S/C9H12N2O3/c1-13-7-8-6-11(9(12)14-8)10-4-2-3-5-10/h2-5,8H,6-7H2,1H3/t8-/m0/s1
InChIKey: RWCYHUWSHCXNRR-QMMMGPOBSA-N

Cross-matching ID

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]

------------------------------------------------------------------------------------

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 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.