Drug Information

Drug General Information
Drug ID
D04FYZ
Former ID
DCL000289
Drug Name
Plevitrexed (R)-isomer
Drug Type
Small molecular drug
Indication Advanced gastric cancer [ICD9: 151; ICD10:C16] Phase 2 [532289]
Company
BTG
Structure
Download
2D MOL

3D MOL
Formula
C26H25FN8O4
Canonical SMILES
CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC(=C(C=C3)C(=O)<br />NC(CCC4=NNN=N4)C(=O)O)F
InChI
1S/C26H25FN8O4/c1-4-9-35(13-16-11-19-22(10-14(16)2)28-15(3)29-25(19)37)17-5-6-18(20(27)12-17)24(36)30-21(26(38)39)7-8-23-31-33-34-32-23/h1,5-6,10-12,21H,7-9,13H2,2-3H3,(H,30,36)(H,38,39)(H,28,29,37)(H,31,32,33,34)/t21-/m0/s1
InChIKey
IEJSCSAMMLUINT-NRFANRHFSA-N
CAS Number
CAS 153537-74-7
PubChem Compound ID
213022
PubChem Substance ID
525044, 11438742, 14763215, 14763216, 14934453, 30417265, 50068467, 57399646, 76715527, 78907166, 103066645, 103080055, 103356879, 103981287, 113453116, 117622467, 128155971, 134338945, 134338991, 134340694, 134340698, 135187320, 137542816, 138647661, 162802588, 164232738, 164764471, 180371003, 198971042, 198979701, 224042541, 226538633, 235406768, 252166490
Target and Pathway
Target(s) Thymidylate synthase Target Info Inhibitor [536356]
BioCyc Pathway Pyrimidine deoxyribonucleotides biosynthesis from CTP
Pyrimidine deoxyribonucleotides de novo biosynthesis
Superpathway of pyrimidine deoxyribonucleotides de novo biosynthesis
Superpathway of pyrimidine deoxyribonucleoside salvage
DTMP de novo biosynthesis (mitochondrial)
Pyrimidine deoxyribonucleosides salvage
KEGG Pathway Pyrimidine metabolism
One carbon pool by folate
Metabolic pathways
PANTHER Pathway De novo pyrimidine deoxyribonucleotide biosynthesis
Formyltetrahydroformate biosynthesis
Pathway Interaction Database E2F transcription factor network
PathWhiz Pathway Pyrimidine Metabolism
Reactome E2F mediated regulation of DNA replication
Pyrimidine biosynthesis
G1/S-Specific Transcription
WikiPathways Trans-sulfuration and one carbon metabolism
Retinoblastoma (RB) in Cancer
One Carbon Metabolism
Integrated Pancreatic Cancer Pathway
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in leukocytes - TarBase
miR-targeted genes in epithelium - TarBase
Metabolism of nucleotides
Fluoropyrimidine Activity
References
Ref 532289Phase 2 study of pemetrexed and itraconazole as second-line therapy for metastatic nonsquamous non-small-cell lung cancer. J Thorac Oncol. 2013 May;8(5):619-23.
Ref 536356Cooperative inhibition of human thymidylate synthase by mixtures of active site binding and allosteric inhibitors. Biochemistry. 2007 Mar 13;46(10):2823-30. Epub 2007 Feb 13.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.