General Information of the Compound
Compound ID
CP0247516
Compound Name
2,3-dichloro-N-(5-fluoro-3-methoxypyrazin-2-yl)benzenesulfonamide
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Synonyms
AZD-1678
CCR4 antagonist (asthma), AstraZeneca
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Structure
Formula
C11H8Cl2FN3O3S
Molecular Weight
352.174
Canonical SMILES
COc1nc(F)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
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InChI
InChI=1S/C11H8Cl2FN3O3S/c1-20-11-10(15-5-8(14)16-11)17-21(18,19)7-4-2-3-6(12)9(7)13/h2-5H,1H3,(H,15,17)
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InChIKey
NWSUDJQTTGDPIR-UHFFFAOYSA-N
Physicochemical Property
logP
2.7319
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
81.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 23585443
SID: 46390988
ChEMBL ID
CHEMBL4172635
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: PT01508, C-C chemokine receptor type 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2.512 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3.981 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( AZD-1678 )
Drug Name AZD-1678
Company AstraZeneca plc
Indication
Asthma
Preclinical
Target(s)
C-C chemokine receptor type 4 (CCR4)
Antagonist