General Information of the Compound
Compound ID
CP0006534
Compound Name
N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanyl-ethanamide
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Synonyms
893990-34-6
AC1OHJ6T
BDBM43891
C16H14N4OS2
C26H30N2O5
CHEMBL1491962
GTPL4665
MLS000621247
N-(4-Methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]-acetamide
N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)thio]acetamide
N-(4-methylthiazol-2-yl)-2-(6-phenylpyridazin-3-ylthio)acetamide
SCHEMBL20240442
VU 0240551
VU-0240551
VU0240551
VU0240551-1
VU0240551-2-D4
n-(4-methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide
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Structure
Formula
C16H14N4OS2
Molecular Weight
342.449
Canonical SMILES
Cc1csc(NC(=O)CSc2ccc(nn2)-c2ccccc2)n1
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InChI
InChI=1S/C16H14N4OS2/c1-11-9-23-16(17-11)18-14(21)10-22-15-8-7-13(19-20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18,21)
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InChIKey
WJRWSLORVIHRNX-UHFFFAOYSA-N
Physicochemical Property
logP
3.63932
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
67.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
23

"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).

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PubChem ID
CID: 7211972
ChEMBL ID
CHEMBL1491962
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: PT06760, Solute carrier family 12 member 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 > 50000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06647, Solute carrier family 12 member 5
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 568 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( VU0240551 )
Drug Name VU0240551
Target(s)
Solute carrier family 12 member 5 (SLC12A5)
 Target Info 
Inhibitor