Molecular Details
DICL_CP_0426413
- N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0426413
PubChem CID
Molecular Formula
C19H15Br2N3O3 Molecular Weight
493.155 g/mol
Synonyms/Alias
[GlyH-101; 328541-79-3; GlyH 101; CFTR Inhibitor II; GlyH-101; CHEMBL1221576; N-[(E)-(3;5-dibromo-2;4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide; (Naphthalen-2-ylamino)-acetic...
InChI Key
RMBDLOATEPYBSI-NUGSKGIGSA-N
InChI
InChI=1S/C19H15Br2N3O3/c20-15-8-13(18(26)17(21)19(15)27)9-23-24-16(25)10-22-14-6-5-11-3-1-2-4-12(11)...
IUPAC Name
N-[(E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CAS Number
328541-79-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
42 44 0 0 0 0 0 0 0 0999 V2000
7.8886 -0.3519 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4907 0.5506 0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1353 0.836...
Experimental Data
Activity Data
Target Ion Channel
Volume-regulated anion channel (VRAC)
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 1070 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
60 and 100 mV mV
Temperature
Not mention
Test Method
Patch-clamping
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
27
Rotatable Bonds
5
logP
4.3382
Complexity
113.346
TPSA (Ų)
93.95
H-Bond Donors
4
H-Bond Acceptors
5
Ring Count
3