Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C75H126N24O15 |
Molecular Weight | 1603.9547 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 12 / 12 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC2=CC=C(O)C=C2)([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O
InChI
InChIKey=OVVIBUHLQIYUEU-IWIISZHXSA-N
InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL236 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26785295 |
18.62 nM [EC50] | ||
Target ID: CHEMBL237 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26944625 |
1.514 nM [EC50] | ||
Target ID: CHEMBL233 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26944625 |
213.8 nM [EC50] |
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Code System | Code | Type | Description | ||
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m4795
Created by
admin on Sat Dec 16 15:07:55 GMT 2023 , Edited by admin on Sat Dec 16 15:07:55 GMT 2023
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25075996
Created by
admin on Sat Dec 16 15:07:55 GMT 2023 , Edited by admin on Sat Dec 16 15:07:55 GMT 2023
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Dynorphin A
Created by
admin on Sat Dec 16 15:07:55 GMT 2023 , Edited by admin on Sat Dec 16 15:07:55 GMT 2023
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VFC23V742Z
Created by
admin on Sat Dec 16 15:07:55 GMT 2023 , Edited by admin on Sat Dec 16 15:07:55 GMT 2023
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72957-38-1
Created by
admin on Sat Dec 16 15:07:55 GMT 2023 , Edited by admin on Sat Dec 16 15:07:55 GMT 2023
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PRIMARY |
SUBSTANCE RECORD