Details of the Drug

General Information of Drug (ID: DMWDUVC)

Drug Name

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

Synonyms

CHEMBL17643; 5-Aminomethyl-3-pyrrol-1-yl-oxazolidin-2-one; 2-Oxazolidinone, 5-(aminomethyl)-3-(1H-pyrrol-1-yl)-, (5R)-; BDBM50110724; 406934-17-6

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

181.19

Logarithm of the Partition Coefficient (xlogp)

-0.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C8H11N3O2
IUPAC Name: (5S)-5-(aminomethyl)-3-pyrrol-1-yl-1,3-oxazolidin-2-one
Canonical SMILES: C1[C@@H](OC(=O)N1N2C=CC=C2)CN
InChI: InChI=1S/C8H11N3O2/c9-5-7-6-11(8(12)13-7)10-3-1-2-4-10/h1-4,7H,5-6,9H2/t7-/m0/s1
InChIKey: OZSRSVNLPCHFKO-ZETCQYMHSA-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 B (MAO-B)	TTGP7BY	AOFB_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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

Molecular Expression Atlas (MEA)

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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.