Details of the Drug

General Information of Drug (ID: DMONSM1)

Drug Name

3-(4,5-Dihydrooxazol-2-yl)phenyl propylcarbamate

Synonyms

CHEMBL576381; 3-(4,5-Dihydrooxazol-2-yl)phenyl propylcarbamate; SCHEMBL4751773

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)

248.28

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C13H16N2O3
IUPAC Name: [3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl] N-propylcarbamate
Canonical SMILES: CCCNC(=O)OC1=CC=CC(=C1)C2=NCCO2
InChI: InChI=1S/C13H16N2O3/c1-2-6-15-13(16)18-11-5-3-4-10(9-11)12-14-7-8-17-12/h3-5,9H,2,6-8H2,1H3,(H,15,16)
InChIKey: JLCYRBIRENXOKD-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid amide hydrolase (FAAH)	TTDP1UC	NOUNIPROTAC	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
Fatty acid amide hydrolase (FAAH)	DTT	NO-GeName	2.65E-01	0.02	0.1

Molecular Expression Atlas (MEA)

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References

1	Chiral 3-(4,5-dihydrooxazol-2-yl)phenyl alkylcarbamates as novel FAAH inhibitors: Insight into FAAH enantioselectivity by molecular docking and int... Eur J Med Chem. 2009 Oct;44(10):4179-91.