Drug Information

Drug General Information
Drug ID
D0M0XI
Former ID
DNC000713
Drug Name
GW1843
Drug Type
Small molecular drug
Indication Biliary cancer [ICD10:C22, C24] Phase 1 [527633]
Structure
Download
2D MOL

3D MOL
Formula
C27H24N4O6
Canonical SMILES
CC1=NC(=O)C2=C(N1)C=CC3=C2C=C(C=C3)CNC4=CC5=C(C=C4)C(=O<br />)N(C5)C(CCC(=O)O)C(=O)O
InChI
1S/C27H24N4O6/c1-14-29-21-7-4-16-3-2-15(10-20(16)24(21)25(34)30-14)12-28-18-5-6-19-17(11-18)13-31(26(19)35)22(27(36)37)8-9-23(32)33/h2-7,10-11,22,28H,8-9,12-13H2,1H3,(H,32,33)(H,36,37)(H,29,30,34)/t22-/m0/s1
InChIKey
BRVFNEZMTRVUGW-QFIPXVFZSA-N
CAS Number
CAS 139987-54-5
PubChem Compound ID
60863
PubChem Substance ID
13548, 832470, 838745, 7887398, 7890949, 14810918, 14810919, 26711308, 26711508, 26711588, 38671766, 43118199, 46391849, 50064398, 57314159, 78210172, 85861037, 103424640, 103972850, 104321837, 117547675, 127559131, 134339613, 134340072, 135018138, 139226731, 139384957, 172918742, 179149901, 184527075, 198949478, 223779056, 227838849, 231822331, 252151330, 252811247
Target and Pathway
Target(s) Thymidylate synthase Target Info Inhibitor [535644]
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 527633Low folate conditions may enhance the interaction of trifluorothymidine with antifolates in colon cancer cells. Cancer Chemother Pharmacol. 2006 Jan;57(2):171-9. Epub 2005 Jul 12.
Ref 535644Loss of folylpoly-gamma-glutamate synthetase activity is a dominant mechanism of resistance to polyglutamylation-dependent novel antifolates in multiple human leukemia sublines. Int J Cancer. 2003 Feb 20;103(5):587-99.

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