Details of the Drug

General Information of Drug (ID: DM5KTDY)

Drug Name	Beta-naphthylacetic acids derivative 1
Synonyms	PMID28895472-Compound-26
Drug Type	Small molecular drug
Structure
Structure	3D MOL	2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)	244.28
	Logarithm of the Partition Coefficient (xlogp)	3.7
	Rotatable Bond Count (rotbonds)	4
	Hydrogen Bond Donor Count (hbonddonor)	1
	Hydrogen Bond Acceptor Count (hbondacc)	3
Chemical Identifiers	Formula C15H16O3 IUPAC Name (2R)-2-(6-methoxynaphthalen-2-yl)butanoic acid Canonical SMILES CC[C@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O InChI InChI=1S/C15H16O3/c1-3-14(15(16)17)12-5-4-11-9-13(18-2)7-6-10(11)8-12/h4-9,14H,3H2,1-2H3,(H,16,17)/t14-/m1/s1 InChIKey LSDAHSHHKKHOKE-CQSZACIVSA-N
Cross-matching ID	PubChem CID 66706413 TTD ID D0G8VB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dihydrodiol dehydrogenase type I (AKR1C3)	TT5ZWB6	AK1C3_HUMAN	Inhibitor; Antagonist; Blocker	[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
Dihydrodiol dehydrogenase type I (AKR1C3)	DTT	AKR1C3	4.06E-01	1.39	0.74

Molecular Expression Atlas (MEA)

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References

1	Aldo-Keto Reductase (AKR) 1C3 inhibitors: a patent review.Expert Opin Ther Pat. 2017 Dec;27(12):1329-1340.