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
TTD ID
D0K8LN

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.