Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0M1AC
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| Former ID |
DNC009167
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| Drug Name |
Cyclotheonamide E4
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| Synonyms |
cyclotheonamide E4; CHEMBL448961
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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 |
C41H62N10O9
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| Canonical SMILES |
CCC(C)CC(=O)NC(C)C(=O)NC1CNC(=O)C=CC(NC(=O)C(NC(=O)C(=O)C(NC(=O)C2CCCN2C1=O)CCCN=C(N)N)C(C)CC)CC3=CC=C(C=C3)O
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| InChI |
1S/C41H62N10O9/c1-6-23(3)20-33(54)46-25(5)36(56)49-30-22-45-32(53)17-14-27(21-26-12-15-28(52)16-13-26)47-38(58)34(24(4)7-2)50-39(59)35(55)29(10-8-18-44-41(42)43)48-37(57)31-11-9-19-51(31)40(30)60/h12-17,23-25,27,29-31,34,52H,6-11,18-22H2,1-5H3,(H,45,53)(H,46,54)(H,47,58)(H,48,57)(H,49,56)(H,50,59)(H4,42,43,44)/b17-14+/t23?,24-,25+,27-,29+,30+,31+,34+/m1/s1
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| InChIKey |
SJGLOQSIMVYUEK-BJQFAPFESA-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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