Details of the Drug

General Information of Drug (ID: DM8G9NY)

Drug Name

UR-11353

Synonyms

138060-13-6

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):
2

Molecular Weight

611.3

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

24

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C34H59ClN2O5
IUPAC Name: (5-octadecoxyoxolan-3-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate;chloride
Canonical SMILES: CCCCCCCCCCCCCCCCCCOC1CC(CO1)COC(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C.[Cl-]
InChI: InChI=1S/C34H59N2O5.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-39-33-26-31(28-40-33)29-41-34(38)36(30(3)37)27-32-23-20-21-24-35(32)5-2;/h20-21,23-24,31,33H,4-19,22,25-29H2,1-3H3;1H/q+1;/p-1
InChIKey: KFNNWINXWGVOQN-UHFFFAOYSA-M

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Platelet-activating factor receptor (PTAFR)	TTQL5VC	PTAFR_HUMAN	Modulator	[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
Platelet-activating factor receptor (PTAFR)	DTT	PTAFR	3.53E-02	0.33	2.12

Molecular Expression Atlas (MEA)

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References

1	Effects of PAF-antagonists in mouse ear oedema induced by several inflammatory agents. Br J Pharmacol. 1991 Dec;104(4):990-4.