Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C42H52N4O7S |
| Molecular Weight | 756.95 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N[C@H](CC(=O)N[C@H](CC3=CC=C(CN4[C@@H](C)CCC[C@H]4C)C=C3)C(=O)N(C)C(C)C)C5=CC6=C(OCO6)C=C5
InChI
InChIKey=QGWIQIAWOCJRPI-WSCVWKGISA-N
InChI=1S/C42H52N4O7S/c1-27(2)45(5)42(48)38(20-30-10-12-31(13-11-30)25-46-28(3)8-7-9-29(46)4)43-41(47)24-37(34-16-19-39-40(23-34)53-26-52-39)44-54(49,50)36-18-15-32-21-35(51-6)17-14-33(32)22-36/h10-19,21-23,27-29,37-38,44H,7-9,20,24-26H2,1-6H3,(H,43,47)/t28-,29+,37-,38-/m1/s1
| Molecular Formula | C42H52N4O7S |
| Molecular Weight | 756.95 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:26:36 GMT 2025
by
admin
on
Mon Mar 31 18:26:36 GMT 2025
|
| Record UNII |
189R4J5E0F
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Common Name | English | ||
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Preferred Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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9853583
Created by
admin on Mon Mar 31 18:26:36 GMT 2025 , Edited by admin on Mon Mar 31 18:26:36 GMT 2025
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465539-70-2
Created by
admin on Mon Mar 31 18:26:36 GMT 2025 , Edited by admin on Mon Mar 31 18:26:36 GMT 2025
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DTXSID7047352
Created by
admin on Mon Mar 31 18:26:36 GMT 2025 , Edited by admin on Mon Mar 31 18:26:36 GMT 2025
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PRIMARY | |||
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189R4J5E0F
Created by
admin on Mon Mar 31 18:26:36 GMT 2025 , Edited by admin on Mon Mar 31 18:26:36 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
Functional assay measuring
inhibition of inositol phosphate-1 formation induced by Lys0-desArg9- BK in activation of the B1 receptor in MRC5 human fibroblast cells.
IC50
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OFF TARGET->NON-INHIBITOR |
unable to antagonize inositol phosphate-1 formation induced by BK (3nM) activation of B2 receptor in human fibroblast MRC5 (IC50>1µM).
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SALT/SOLVATE -> PARENT |
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SALT/SOLVATE -> PARENT |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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