Molecular Details
DICL_CP_0359787
- N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0359787
PubChem CID
Molecular Formula
C15H9F3N6OS Molecular Weight
378.339 g/mol
Synonyms/Alias
[CHEMBL484363; SCHEMBL7315476; BKJSZUIOVOBQDB-UHFFFAOYSA-N; N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide]
InChI Key
BKJSZUIOVOBQDB-UHFFFAOYSA-N
InChI
InChI=1S/C15H9F3N6OS/c1-8-13(26-23-21-8)14(25)20-9-2-4-10(5-3-9)24-11(7-19)6-12(22-24)15(16,17)18/h2...
IUPAC Name
N-[4-[5-cyano-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
26 28 0 0 0 0 0 0 0 0999 V2000
-5.6333 -2.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2991 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6029 0...
Experimental Data
Activity Data
Target Ion Channel
Calcium release-activated calcium channel (CRAC)
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 220 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
~22 °C
Test Method
Efflux Assay ([86] Rubidium Ion)
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
26
Rotatable Bonds
3
logP
3.175
Complexity
85.8802
TPSA (Ų)
96.49
H-Bond Donors
1
H-Bond Acceptors
7
Ring Count
3