Drug Information

Drug General Information
Drug ID
DX0CCX
Drug Name
(S)-2-({3-(2-Chloro-3-hydroxy-4-methoxy-phenyl)-2-[((R)-3-(4-hydroxy-phenyl)-2-{(E)-3-[((Z)-2-pent-1-enyl)-phenyl]-acryloylamino}-propionyl)-methyl-amino]-propionyl}-methyl-amino)-3-phenyl-propionic acid (S)-3,6-dioxo-piperazin-2-ylmethyl ester
Synonyms
CHEMBL103176
Indication Discovery agent Investigative [1587926]
Formula
C49H54ClN5O10
Canonical SMILES
CCC\\C=C/c1ccccc1\\C=C\\C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N(C)C(Cc3ccc(OC)c(O)c3Cl)C(=O)N(C)[C@@H](Cc4ccccc4)C(=O)OC[C@@H]5NC(=O)CNC5=O
InChI
InChI=1S/C49H54ClN5O10/c1-5-6-8-15-33-16-11-12-17-34(33)21-25-42(57)52-37(26-32-18-22-36(56)23-19-32)47(61)54(2)39(28-35-20-24-41(64-4)45(59)44(35)50)48(62)55(3)40(27-31-13-9-7-10-14-31)49(63)65-30-38-46(60)51-29-43(58)53-38/h7-25,37-40,56,59H,5-6,26-30H2,1-4H3,(H,51,60)(H,52,57)(H,53,58)/b15-8-,25-21+/t37-,38+,39?,40+/m1/s1
InChIKey
FAVCPKLIWNVVMG-ARXMJHECSA-N
Target and Pathway
Target(s) Farnesyltransferase Target Info [1587926]
Protein farnesyltransferase beta subunit Target Info [1587926]
KEGG Pathway Terpenoid backbone biosynthesis
Biosynthesis of antibioticshsa00900:Terpenoid backbone biosynthesis
Biosynthesis of antibiotics
NetPath Pathway TSH Signaling Pathway
Reactome Apoptotic cleavage of cellular proteins
Inactivation, recovery and regulation of the phototransduction cascadeR-HSA-2514859:Inactivation, recovery and regulation of the phototransduction cascade
WikiPathways Visual phototransduction
Apoptotic execution phaseWP2776:Visual phototransduction
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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