Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D08TMM
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| Former ID |
DNC008060
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| Drug Name |
K-777
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| Synonyms |
K-777; UNII-320A4L58IZ; APC-3316; CRA-3316; K777; CHEMBL91704; 320A4L58IZ; K-11777; 4-methyl-N-((S)-1-oxo-3-phenyl-1-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-ylamino)propan-2-yl)piperazine-1-carboxamide hydrochloride; APC 3316; K 777; K 11777; 233277-99-1; BDBM50229129; 1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propen-1-yl)amino)-1-(phenylmethyl)ethyl)-; 1-Piperazinecarboxamide, 4-methyl-N-((1S)-2-oxo-2-(((1S)-1-(2-phenylethyl)-3-(phenylsulfonyl)-2-propenyl)amino)
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C32H38N4O4S
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| Canonical SMILES |
CN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC3=CC=CC=C3)C=CS(=O)(=O)C4=CC=CC=C4
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| InChI |
1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/b24-19+/t28-,30-/m0/s1
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| InChIKey |
RHJLQMVZXQKJKB-FPHSVDBKSA-N
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| CAS Number |
CAS 233277-99-1
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cysteine protease (CYP) | Target Info | Inhibitor | [1] |
| Trypanosoma Cruzipain (Trypano CYSP) | Target Info | Inhibitor | [1] | |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases. Bioorg Med Chem Lett. 2009 Nov 1;19(21):6218-21. | |||
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