Drug Information

Drug General Information
Drug ID
D02YSI
Former ID
DNC008061
Drug Name
FR-901277
Drug Type
Small molecular drug
Indication Discovery agent Terminated [546457]
Structure
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2D MOL

3D MOL
Formula
C47H63N9O13
Canonical SMILES
CC=C1C(=O)NC2CCC(N(C2=O)C(C(=O)N(C3CC4=CC(=C(C=C4NC(=O)<br />NCCCC(C(=O)NC(C(OC(=O)C(NC3=O)C(C)C)C)C(=O)N1)NC(=O)C(C<br />)C)O)O)C)CC5=CC=CC=C5)O
InChI
1S/C47H63N9O13/c1-8-28-40(61)51-30-16-17-36(59)56(44(30)65)33(19-26-13-10-9-11-14-26)45(66)55(7)32-20-27-21-34(57)35(58)22-31(27)52-47(68)48-18-12-15-29(50-39(60)24(4)5)41(62)54-38(43(64)49-28)25(6)69-46(67)37(23(2)3)53-42(32)63/h8-11,13-14,21-25,29-30,32-33,36-38,57-59H,12,15-20H2,1-7H3,(H,49,64)(H,50,60)(H,51,61)(H,53,63)(H,54,62)(H2,48,52,68)/b28-8-/t25-,29+,30-,32?,33-,36-,37-,38-/m0/s1
InChIKey
MHMMGTGXNPFNAJ-AXLQWPSXSA-N
PubChem Compound ID
44316902
Target and Pathway
Target(s) Leukocyte elastase Target Info Inhibitor [528807]
KEGG Pathway Transcriptional misregulation in cancer
Systemic lupus erythematosus
Pathway Interaction Database Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
C-MYB transcription factor network
Reactome Collagen degradation
Degradation of the extracellular matrix
Activation of Matrix Metalloproteinases
WikiPathways Hair Follicle Development: Cytodifferentiation (Part 3 of 3)
Human Complement System
Degradation of collagen
References
Ref 546457Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800008229)
Ref 528807Bioorg Med Chem. 2007 Jul 1;15(13):4618-28. Epub 2007 Apr 3.Resisting degradation by human elastase: commonality of design features shared by 'canonical' plant and bacterial macrocyclic protease inhibitor scaffolds.

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