General Information of the Compound
Compound ID
CP0209002
Compound Name
arylsulfonylpiperazine, 27
    Show/Hide
Synonyms
2-(4-tosylpiperazin-1-yl)nicotinonitrile
2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
AB00772161-01
AKOS029603555
BDBM32555
CHEMBL404148
MCULE-2636718919
MolPort-005-568-142
Z31097483
ZINC23996035
arylsulfonylpiperazine, 27
    Show/Hide
Structure
Formula
C17H18N4O2S
Molecular Weight
342.424
Canonical SMILES
Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ncccc1C#N
    Show/Hide
InChI
InChI=1S/C17H18N4O2S/c1-14-4-6-16(7-5-14)24(22,23)21-11-9-20(10-12-21)17-15(13-18)3-2-8-19-17/h2-8H,9-12H2,1H3
    Show/Hide
InChIKey
NYLACAAEFWBUQQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.7726
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
77.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
24

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 16267445
ChEMBL ID
CHEMBL404148
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 628 nM
Clinical Information about the Compound
Drug 1 ( 2-(4-tosylpiperazin-1-yl)nicotinonitrile )
Drug Name 2-(4-tosylpiperazin-1-yl)nicotinonitrile
Target(s)
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)
Inhibitor