Details of the Drug

General Information of Drug (ID: DMYH9BC)

Drug Name

(Z)-2-Methyl-1-oxazol-2-yl-octadec-9-en-1-one

Synonyms

CHEMBL37044; (Z)-2-Methyl-1-oxazol-2-yl-octadec-9-en-1-one; BDBM50100866

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): 2

Molecular Weight (mw)

347.5

Logarithm of the Partition Coefficient (xlogp)

8.4

Rotatable Bond Count (rotbonds)

16

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C22H37NO2
IUPAC Name: (Z)-2-methyl-1-(1,3-oxazol-2-yl)octadec-9-en-1-one
Canonical SMILES: CCCCCCCC/C=C\\CCCCCCC(C)C(=O)C1=NC=CO1
InChI: InChI=1S/C22H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(2)21(24)22-23-18-19-25-22/h10-11,18-20H,3-9,12-17H2,1-2H3/b11-10-
InChIKey: VNDQKKVLWCFNIJ-KHPPLWFESA-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	alpha-Keto heterocycle inhibitors of fatty acid amide hydrolase: carbonyl group modification and alpha-substitution. Bioorg Med Chem Lett. 2001 Jun 18;11(12):1517-20.