Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C44H67N5O4.C6H8O7 |
| Molecular Weight | 922.1593 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)[C@@]([H])(C)[C@@]1(C)CC[C@]2(C)[C@@]3([H])CC[C@@]4([H])[C@@]5(C)COC[C@@]4(C[C@]([H])([C@]5([H])OC[C@@](C)(C(C)(C)C)N)n6c(-c7ccncc7)ncn6)C3=CC[C@@]2(C)[C@]1([H])C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChIKey=WKIRTJACGBEXBZ-FQGZCCSZSA-N
InChI=1S/C44H67N5O4.C6H8O7/c1-27(2)28(3)39(7)18-19-41(9)30-12-13-33-40(8)23-52-25-44(33,31(30)14-17-42(41,10)34(39)37(50)51)22-32(35(40)53-24-43(11,45)38(4,5)6)49-36(47-26-48-49)29-15-20-46-21-16-29;7-3(8)1-6(13,5(11)12)2-4(9)10/h14-16,20-21,26-28,30,32-35H,12-13,17-19,22-25,45H2,1-11H3,(H,50,51);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t28-,30+,32-,33+,34-,35+,39-,40-,41-,42+,43+,44+;/m1./s1
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.1238 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C44H67N5O4 |
| Molecular Weight | 730.0355 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
MK-3118 is an orally active inhibitor of fungal β-(1,3)-glucan synthase patented by Merck Sharp & Dohme Corp for the treatment of fungal infections. MK-3118 demonstrated enhanced efficacy for most C. albicans and C. glabrata ER isolates relative to caspofungin. MK-3118 showed no or poor activity against Mucoromycotina and Fusarium spp. However, MK-3118 was highly active against Paecilomyces variotii and was the only compound displaying some activity against notoriously pan-resistant Scedosporium prolificans.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Jun 25 21:24:14 UTC 2021
by
admin
on
Fri Jun 25 21:24:14 UTC 2021
|
| Record UNII |
M4NU2SDX3E
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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137552087
Created by
admin on Fri Jun 25 21:24:14 UTC 2021 , Edited by admin on Fri Jun 25 21:24:14 UTC 2021
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C174692
Created by
admin on Fri Jun 25 21:24:14 UTC 2021 , Edited by admin on Fri Jun 25 21:24:14 UTC 2021
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1965291-08-0
Created by
admin on Fri Jun 25 21:24:14 UTC 2021 , Edited by admin on Fri Jun 25 21:24:14 UTC 2021
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M4NU2SDX3E
Created by
admin on Fri Jun 25 21:24:14 UTC 2021 , Edited by admin on Fri Jun 25 21:24:14 UTC 2021
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |