Molecule Details
InChIKeyXHWRWCSCBDLOLM-UHFFFAOYSA-N
Canonical SMILESCc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.45
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB12912
Drug NameNolatrexed
CAS Number147149-76-6
Groups experimental
ATC Codes nan
DescriptionNolatrexed is under investigation in clinical trial NCT00012324 (Nolatrexed Dihydrochloride Compared With Doxorubicin in Treating Patients With Recurrent or Unresectable Liver Cancer).
Categories: Antimetabolites Antineoplastic Agents Enzyme Inhibitors Folic Acid Antagonists Heterocyclic Compounds, Fused-Ring Noxae Thymidylate Synthase, antagonists & inhibitors Toxic Actions
Cross-references: BindingDB: 50046657 CHEMBL320775 ChemSpider: 97268 PDB: 7Z9 PubChem:108189 PubChem:347829062 Wikipedia: Nolatrexed ZINC: ZINC000000008107
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P04818 TYMS Homo sapiens Human PF00303 7.8 Ki ChEMBL;BindingDB
C3SWJ7 thyA Escherichia coli Pathogen PF00303 7.1 Ki ChEMBL;BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P12461 P12461 Thymidylate synthase inhibitor targets