Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C35H55N5O6S2 |
| Molecular Weight | 705.971 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC2=CSC=N2)NC(=O)[C@H](CC3=CC=CC=C3)CS(=O)(=O)N4CCN(C)CC4
InChI
InChIKey=YFDSDRDMDDGDFC-HOQQKOLYSA-N
InChI=1S/C35H55N5O6S2/c1-25(2)18-32(41)33(42)30(20-27-12-8-5-9-13-27)37-35(44)31(21-29-22-47-24-36-29)38-34(43)28(19-26-10-6-4-7-11-26)23-48(45,46)40-16-14-39(3)15-17-40/h4,6-7,10-11,22,24-25,27-28,30-33,41-42H,5,8-9,12-21,23H2,1-3H3,(H,37,44)(H,38,43)/t28-,30+,31+,32+,33-/m1/s1
| Molecular Formula | C35H55N5O6S2 |
| Molecular Weight | 705.971 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Zankiren (A-72517) is a peptidomimetic renin inhibitor with high potency and specificity. The drug was shown to reduce blood pressure in healthy volunteers after oral administration. In another clinical trial, zankiren exerted a renal vasodilator action. Despite positive results from initial clinical trials, further development of zankiren was discontinued.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:47:17 GMT 2023
by
admin
on
Fri Dec 15 17:47:17 GMT 2023
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| Record UNII |
I36B16A34Q
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| Record Status |
Validated (UNII)
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| Record Version |
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C270
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SUB00138MIG
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C95290
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7170
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CHEMBL113841
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138742-43-5
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100000079389
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3086652
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I36B16A34Q
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DTXSID70904849
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admin on Fri Dec 15 17:47:17 GMT 2023 , Edited by admin on Fri Dec 15 17:47:17 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
A-72517 is a potent inhibitor of human renin (IC50 = 1.0 nmol/L, pH 7.4 in plasma)
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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