Details of the Drug

General Information of Drug (ID: DM8023E)

Drug Name

(+/-)-oxiran-2-ylmethyl (9Z)-hexadec-9-enoate

Synonyms

CHEMBL230968; 213738-77-3; SCHEMBL4979121; BDBM50220357; UCM710, > oxiran-2-ylmethyl (9z)-hexadec-9-enoate

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)

310.5

Logarithm of the Partition Coefficient (xlogp)

6.2

Rotatable Bond Count (rotbonds)

16

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H34O3
IUPAC Name: oxiran-2-ylmethyl (Z)-hexadec-9-enoate
Canonical SMILES: CCCCCC/C=C\\CCCCCCCC(=O)OCC1CO1
InChI: InChI=1S/C19H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(20)22-17-18-16-21-18/h7-8,18H,2-6,9-17H2,1H3/b8-7-
InChIKey: FWEHVPCBXKCYHE-FPLPWBNLSA-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	Structure-activity relationship of a series of inhibitors of monoacylglycerol hydrolysis--comparison with effects upon fatty acid amide hydrolase. J Med Chem. 2007 Oct 4;50(20):5012-23.