Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09XED
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| Former ID |
DNC009710
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| Drug Name |
MK-0668
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| Synonyms |
MK-0668; UNII-S441P37178; CHEMBL506044; S441P37178; 865110-07-2; SCHEMBL13884454; BDBM50423686; N-(N-((3-Cyanophenyl)sulfonyl)-4(R)-cyclobutylamino-(l)-prolyl)-4-((3',5'-dichloroisonicotinoyl) amino)-(l)-phenylalanine; L-Phenylalanine, (4R)-1-((3-cyanophenyl)sulfonyl)-4-(cyclobutylamino)-L-prolyl-4-(((3,5-dichloro-4-pyridinyl)carbonyl)amino)-
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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 |
C31H30Cl2N6O6S
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| Canonical SMILES |
C1CC(C1)NC2CC(N(C2)S(=O)(=O)C3=CC=CC(=C3)C#N)C(=O)NC(CC4=CC=C(C=C4)NC(=O)C5=C(C=NC=C5Cl)Cl)C(=O)O
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| InChI |
1S/C31H30Cl2N6O6S/c32-24-15-35-16-25(33)28(24)30(41)37-21-9-7-18(8-10-21)12-26(31(42)43)38-29(40)27-13-22(36-20-4-2-5-20)17-39(27)46(44,45)23-6-1-3-19(11-23)14-34/h1,3,6-11,15-16,20,22,26-27,36H,2,4-5,12-13,17H2,(H,37,41)(H,38,40)(H,42,43)/t22-,26+,27+/m1/s1
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| InChIKey |
USYYNLPEWBGIMJ-ICTDUYRTSA-N
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| CAS Number |
CAS 865110-07-2
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Discovery of N-{N-[(3-cyanobenzene) sulfonyl]-4(R)-(3,3-difluoropiperidin-1-yl)-(l)-prolyl}-4-[(3',5'-dichloro-isonicotinoyl) amino]-(l)-phenylalan... Bioorg Med Chem Lett. 2009 Oct 1;19(19):5803-6. | |||
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