Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0D8AK
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| Former ID |
DNC009166
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| Drug Name |
Cyclotheonamide E
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| Synonyms |
Cyclotheonamide E; CHEMBL507449
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C43H58N10O9
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| Canonical SMILES |
CCC(C)C1C(=O)NC(C=CC(=O)NCC(C(=O)N2CCCC2C(=O)NC(C(=O)C(=O)N1)CCCN=C(N)N)NC(=O)C(C)NC(=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)O
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| InChI |
1S/C43H58N10O9/c1-4-25(2)36-40(60)49-29(22-28-14-17-30(54)18-15-28)16-19-34(55)47-24-32(51-38(58)26(3)48-35(56)23-27-10-6-5-7-11-27)42(62)53-21-9-13-33(53)39(59)50-31(37(57)41(61)52-36)12-8-20-46-43(44)45/h5-7,10-11,14-19,25-26,29,31-33,36,54H,4,8-9,12-13,20-24H2,1-3H3,(H,47,55)(H,48,56)(H,49,60)(H,50,59)(H,51,58)(H,52,61)(H4,44,45,46)/b19-16+/t25-,26+,29-,31+,32+,33+,36+/m1/s1
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| InChIKey |
JAVOTTCUBDNFEA-YFQACERUSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Cyclotheonamide E4 and E5, new potent tryptase inhibitors from an Ircinia species of sponge. J Nat Prod. 2002 Mar;65(3):259-61. | |||
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