Details of the Drug

General Information of Drug (ID: DMI3E0Y)

Drug Name

MK6-83

Synonyms

1062271-24-2; UNII-RE9JUR6NT4; RE9JUR6NT4; 5-Methyl-N-[2-(1-piperidinyl)phenyl]-2-thiophenesulfonamide; C16H20N2O2S2; 5-methyl-N-(2-(piperidin-1-yl)phenyl)thiophene-2-sulfonamide; 5-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide; 5-Methyl-N-(2-(1-piperidinyl)phenyl)-2-thiophenesulfonamide; GTPL9783; AOB6422; SYN5108; ZINC69572886; AKOS025147398; NCGC00402264-02; NCGC00402264-04; AS-16472; CID 18191179; HY-110238; CS-0033102; 2-Thiophenesulfonamide, 5-methyl-N-(2-(1-piperidinyl)phenyl)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Preclinical	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

336.5

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H20N2O2S2
IUPAC Name: 5-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-sulfonamide
Canonical SMILES: CC1=CC=C(S1)S(=O)(=O)NC2=CC=CC=C2N3CCCCC3
InChI: InChI=1S/C16H20N2O2S2/c1-13-9-10-16(21-13)22(19,20)17-14-7-3-4-8-15(14)18-11-5-2-6-12-18/h3-4,7-10,17H,2,5-6,11-12H2,1H3
InChIKey: IRGYSXZCDAWOOC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 18191179
CAS Number: 1062271-24-2
TTD ID: DNL2F1

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mucolipin-1 (TRPML1)	TT9XBVO	MCLN1_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Lysosomes as a therapeutic target. Nat Rev Drug Discov. 2019 Dec;18(12):923-948.
2	ML-SA1, a selective TRPML agonist, inhibits DENV2 and ZIKV by promoting lysosomal acidification and protease activity. Antiviral Res. 2020 Oct;182:104922.