Drug Information

Drug General Information
Drug ID
D08TMM
Former ID
DNC008060
Drug Name
K-777
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530398]
Structure
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2D MOL

3D MOL
Formula
C32H38N4O4S
Canonical SMILES
CN1CCN(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCC3=CC=CC=C3)C<br />=CS(=O)(=O)C4=CC=CC=C4
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
InChIKey
RHJLQMVZXQKJKB-FPHSVDBKSA-N
PubChem Compound ID
9851116
Target and Pathway
Target(s) Cruzipain Target Info Inhibitor [530398]
Cysteine protease Target Info Inhibitor [530398]
References
Ref 530398Bioorg Med Chem Lett. 2009 Nov 1;19(21):6218-21. Epub 2009 Sep 3.Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases.
Ref 530398Bioorg Med Chem Lett. 2009 Nov 1;19(21):6218-21. Epub 2009 Sep 3.Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases.

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