Details of the Drug

General Information of Drug (ID: DMIAB94)

Drug Name	Benzyl pyrrolyloxoacetamide derivative 1
Synonyms	PMID26413912-Compound-89
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	453.9
	Logarithm of the Partition Coefficient (xlogp)	4.7
	Rotatable Bond Count (rotbonds)	6
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	5
Chemical Identifiers	Formula C23H20ClN3O3S IUPAC Name 2-[4-[(4-chlorophenyl)methyl]-2,5-dimethylthieno[3,2-b]pyrrol-6-yl]-N-(2-methoxypyridin-4-yl)-2-oxoacetamide Canonical SMILES CC1=CC2=C(S1)C(=C(N2CC3=CC=C(C=C3)Cl)C)C(=O)C(=O)NC4=CC(=NC=C4)OC InChI InChI=1S/C23H20ClN3O3S/c1-13-10-18-22(31-13)20(14(2)27(18)12-15-4-6-16(24)7-5-15)21(28)23(29)26-17-8-9-25-19(11-17)30-3/h4-11H,12H2,1-3H3,(H,25,26,29) InChIKey KJJWMDHJTAKZAD-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 53482754 TTD ID D00PFD

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

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	Fatty acid amide hydrolase inhibitors: a patent review (2009-2014).Expert Opin Ther Pat. 2015;25(11):1247-66.