General Information of the Compound
Compound ID
CP0193243
Compound Name
(+/-)-SLV319
    Show/Hide
Synonyms
SLV319
    Show/Hide
Structure
Formula
C23H20Cl2N4O2S
Molecular Weight
487.412
Canonical SMILES
CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
    Show/Hide
InChIKey
AXJQVVLKUYCICH-UHFFFAOYSA-N
Physicochemical Property
logP
4.7612
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
74.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 11179267
SID: 16259538
ChEMBL ID
CHEMBL158784
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: PT01715, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 76 nM
   TI
   LI
   LO
   TS
2
Ki = 8.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
Kd = 1.995 nM
   TI
   LI
   LO
   TS
2
Ki = 25 nM
   TI
   LI
   LO
   TS
3
Ki = 25.2 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 22 nM
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki > 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 5000 nM
2 Ki = 7943.28 nM
Clinical Information about the Compound
Drug 1 ( SLV319 )
Drug Name SLV319
Company Solvay Pharmaceuticals
Indication
Obesity
Discontinued in Phase 2
Target(s)
Cannabinoid receptor 1 (CB1)
Antagonist