Details of the Drug

General Information of Drug (ID: DMMTXKO)

Drug Name

(Z)-1-(pyridazin-3-yl)octadec-9-en-1-one

Synonyms

CHEMBL405089; SCHEMBL3967504; BDBM50374371; (9z)-1-pyridazin-3-yloctadec-9-en-1-one

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)

344.5

Logarithm of the Partition Coefficient (xlogp)

7.3

Rotatable Bond Count (rotbonds)

16

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C22H36N2O
IUPAC Name: (Z)-1-pyridazin-3-yloctadec-9-en-1-one
Canonical SMILES: CCCCCCCC/C=C\\CCCCCCCC(=O)C1=NN=CC=C1
InChI: InChI=1S/C22H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)21-18-17-20-23-24-21/h9-10,17-18,20H,2-8,11-16,19H2,1H3/b10-9-
InChIKey: REQRZXMTFPJHJQ-KTKRTIGZSA-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	Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality. Bioorg Med Chem. 2008 Feb 15;16(4):1562-95.