General Information of the Compound
Compound ID
CP0539681
Compound Name
N-[4-(benzylsulfamoyl)naphthalen-1-yl]benzamide
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Synonyms
CHEMBL222111
N-{4-[(benzylamino)sulfonyl]-1-naphthyl}benzamide
SCHEMBL1339724
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Structure
Formula
C24H20N2O3S
Molecular Weight
416.502
Canonical SMILES
O=C(Nc1ccc(c2ccccc12)S(=O)(=O)NCc1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H20N2O3S/c27-24(19-11-5-2-6-12-19)26-22-15-16-23(21-14-8-7-13-20(21)22)30(28,29)25-17-18-9-3-1-4-10-18/h1-16,25H,17H2,(H,26,27)
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InChIKey
QPJKMKVTEJYYGG-UHFFFAOYSA-N
Physicochemical Property
logP
4.5706
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
75.27
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 11270007
SID: 16356178
ChEMBL ID
CHEMBL222111
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: PT03816, C-C chemokine receptor type 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000233 L1.2 Mus musculus (Mouse)  1
1
Ki = 233.1 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-{4-[(benzylamino)sulfonyl]-1-naphthyl}benzamide )
Drug Name N-{4-[(benzylamino)sulfonyl]-1-naphthyl}benzamide
Target(s)
C-C chemokine receptor type 8 (CCR8)
Inhibitor