AZD5672

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Synonyms
Status
Molecule Category Free-form
UNII 61XQN688TW

Structure

InChI Key QOSMEMHKXNNIGG-SSEXGKCCSA-N
Smiles CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1
InChI
InChI=1S/C31H43F2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H43F2N3O5S2
Molecular Weight 639.83
AlogP 4.07
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 11.0
Polar Surface Area 95.07
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 43.0

Pharmacology

Mechanism of Action Action Reference
C-C chemokine receptor type 5 antagonist ANTAGONIST PubMed 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
- 0.26-0.69 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.26 - - -

Target Conservation

Protein: C-C chemokine receptor type 5
Description: C-C chemokine receptor type 5
Organism : Homo sapiens
P51681 ENSG00000160791

Cross References

Resources Reference
ChEMBL CHEMBL1951914
FDA SRS 61XQN688TW
Guide to Pharmacology 7686
SureChEMBL SCHEMBL2767780
ZINC ZINC000043101474
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