Details of the Drug

General Information of Drug (ID: DM13HGN)

Drug Name
1-Chloro-4-(1-phenyl-cyclohexanesulfonyl)-benzene
Synonyms CHEMBL191195; 1-Chloro-4-(1-phenyl-cyclohexanesulfonyl)-benzene
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 334.9
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H19ClO2S
IUPAC Name
1-chloro-4-(1-phenylcyclohexyl)sulfonylbenzene
Canonical SMILES
C1CCC(CC1)(C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H19ClO2S/c19-16-9-11-17(12-10-16)22(20,21)18(13-5-2-6-14-18)15-7-3-1-4-8-15/h1,3-4,7-12H,2,5-6,13-14H2
InChIKey
XMYNJSLMUBGZIQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44400752
ChEBI ID
CHEMBL191195
TTD ID
D0K8LN
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Presenilin 1 (PSEN1) TTZ3S8C PSN1_HUMAN Inhibitor [1]
Presenilin 2 (PSEN2) TTWN3F4 PSN2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Aryl sulfones: a new class of gamma-secretase inhibitors. Bioorg Med Chem Lett. 2005 May 16;15(10):2685-8.