Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C32H38F2N2O5S2 |
| Molecular Weight | 632.781 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCN(C1CCN(CC[C@H](C2=CC=C(C=C2)S(C)(=O)=O)C3=CC(F)=CC(F)=C3)CC1)C(=O)CC4=CC=C(C=C4)S(C)(=O)=O
InChI
InChIKey=SCXSQUUTGCWHFU-WJOKGBTCSA-N
InChI=1S/C32H38F2N2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1
| Molecular Formula | C32H38F2N2O5S2 |
| Molecular Weight | 632.781 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
AZD5672 was developed by AstraZeneca for the treatment of rheumatoid arthritis. It was found that the drug inhibits P-glycoprotein and is a CCR5 antagonist. Exists hypothesis that inhibition of CCR5 can bring benefits in the treatment of rheumatoid arthritis. In July 2009, Phase-II for Rheumatoid arthritis was discontinued.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Chemokine and chemokine receptor expression in paired peripheral blood mononuclear cells and synovial tissue of patients with rheumatoid arthritis, osteoarthritis, and reactive arthritis. | 2006 Mar |
|
| Balancing hERG affinity and absorption in the discovery of AZD5672, an orally active CCR5 antagonist for the treatment of rheumatoid arthritis. | 2012 Feb 15 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 19:47:58 UTC 2023
by
admin
on
Fri Dec 15 19:47:58 UTC 2023
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| Record UNII |
61XQN688TW
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| Record Status |
Validated (UNII)
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| Record Version |
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780750-65-4
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DB11804
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61XQN688TW
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CHEMBL1951914
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100000175721
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16007088
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
Did not reported any cardiovascular risk, but it was failed because of unclear reasons in
a phase IIb study for rheumatoid arthritis.
Ki
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ACTIVE MOIETY |
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