Brief Information of the Compound and Protein
Compound Name
N-[(3S,4S)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
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PubChem ID
CID: 139360137
Canonical SMILES
Fc1ccc(-c2cc(no2)C(=O)N[C@H]2CCN(CC3CC3)C[C@@H]2C(=O)NC2(CC2)c2ncccn2)c(F)c1
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Compound Formula C27H28F2N6O3
Compound Structure
Protein Name
Atypical chemokine receptor 3
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
>
Chemokine receptor
>
CXC chemokine receptor
Uniprot ID
P25106
Gene Name
ACKR3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 0.53 nM
   TI
   LI
   LO
   TS
CL000043 U2OS Homo sapiens (Human)  14
1
IC50 = 0.864 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.9 nM
   TI
   LI
   LO
   TS
3
IC50 = 0.903 nM
   TI
   LI
   LO
   TS
4
IC50 = 0.962 nM
   TI
   LI
   LO
   TS
5
IC50 = 0.985 nM
   TI
   LI
   LO
   TS
6
IC50 = 0.989 nM
   TI
   LI
   LO
   TS
7
IC50 = 1.15 nM
   TI
   LI
   LO
   TS
8
IC50 = 1.65 nM
   TI
   LI
   LO
   TS
9
IC50 = 1.84 nM
   TI
   LI
   LO
   TS
10
IC50 = 2.03 nM
   TI
   LI
   LO
   TS
11
IC50 = 2.32 nM
   TI
   LI
   LO
   TS
12
IC50 = 2.79 nM
   TI
   LI
   LO
   TS
13
IC50 = 2.83 nM
   TI
   LI
   LO
   TS
14
IC50 = 3.2 nM
   TI
   LI
   LO
   TS