Details of the Drug

General Information of Drug (ID: DM5CUSJ)

Drug Name
Sulfonamide derivative 15
Synonyms PMID28460551-Compound-7
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 333.5
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H19NO2S2
IUPAC Name
N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)thiophene-2-sulfonamide
Canonical SMILES
C1CC2CC3=CC=CC=C3CC1C2NS(=O)(=O)C4=CC=CS4
InChI
InChI=1S/C17H19NO2S2/c19-22(20,16-6-3-9-21-16)18-17-14-7-8-15(17)11-13-5-2-1-4-12(13)10-14/h1-6,9,14-15,17-18H,7-8,10-11H2
InChIKey
IFPBWXNUXWIDSN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11964527
ChEBI ID
CHEMBL183654
TTD ID
D0K2YO
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gamma-secretase subunit APH-1A/1B (APH-1) TTZS04O APH1A_HUMAN-APH1B_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Cancer stem cell (CSC) inhibitors: a review of recent patents (2012-2015).Expert Opin Ther Pat. 2017 Jul;27(7):753-761.