AZD4818

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Synonyms
Status
Molecule Category Free-form
UNII S5UP6P540K

Structure

InChI Key RKWKLTLIBREDHD-DEOSSOPVSA-N
Smiles CC(=O)Nc1ccc(O)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1
InChI
InChI=1S/C24H32ClN3O4/c1-17(29)27-22-8-7-21(30)13-23(22)32-16-24(2,31)15-26-20-9-11-28(12-10-20)14-18-3-5-19(25)6-4-18/h3-8,13,20,26,30-31H,9-12,14-16H2,1-2H3,(H,27,29)/t24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32ClN3O4
Molecular Weight 461.99
AlogP 3.39
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 94.06
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
C-C chemokine receptor type 1 antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- - - 5 -

Target Conservation

Protein: C-C chemokine receptor type 1
Description: C-C chemokine receptor type 1
Organism : Homo sapiens
P32246 ENSG00000163823

Cross References

Resources Reference
ChEMBL CHEMBL2178570
FDA SRS S5UP6P540K
SureChEMBL SCHEMBL523439
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