Details of the Drug

General Information of Drug (ID: DMH6JI8)

Drug Name

S-OOPP

Synonyms

CHEMBL1214256; S-OOPP; SCHEMBL3768627; GTPL6493; UUEMOTWYJKOUPP-JTQLQIEISA-N; BDBM50416509; (S)-N-(2-oxooxetan-3-yl)-3-phenylpropionamide; N-[(3s)-2-oxo-3-oxetanyl]-3-phenylpropanamide; N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

219.24

Logarithm of the Partition Coefficient (xlogp)

1.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H13NO3
IUPAC Name: N-[(3S)-2-oxooxetan-3-yl]-3-phenylpropanamide
Canonical SMILES: C1[C@@H](C(=O)O1)NC(=O)CCC2=CC=CC=C2
InChI: InChI=1S/C12H13NO3/c14-11(13-10-8-16-12(10)15)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)/t10-/m0/s1
InChIKey: UUEMOTWYJKOUPP-JTQLQIEISA-N

Cross-matching ID

PubChem CID: 25227533
TTD ID: D0G6RN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
N-acylethanolamine-hydrolyzing acidamidase (NAAA)	TTMN4HY	NAAA_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6493).
2	Selective N-acylethanolamine-hydrolyzing acid amidase inhibition reveals a key role for endogenous palmitoylethanolamide in inflammation. Proc Natl Acad Sci U S A. 2009 Dec 8;106(49):20966-71.