General
Preferred name
RALTITREXED
Synonyms
ZD1694 ()
D1694 ()
ICI-D1694 ()
Tomudex ()
Raltitrexed (Tomudex) ()
ZD-1694, ICI-D1694, D1694 ()
Raltitrexed monohydrate ()
ZD-16 ()
ZD-1694 ()
P&D ID
PD002892
CAS
112887-68-0
Tags
available
probe
drug
First approval
1996
Drug indication
Neoplasm
Rectal adenocarcinoma
Drug Status
approved
investigational
Max Phase
4.0
Probe info
Probe type
calculated probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
2
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Raltitrexed is an antimetabolite drug.
(GtoPdb)
DESCRIPTION
Raltitrexed is an antimetabolite agent used in chemotherapy, acting by inhibiting thymidylate synthase.
PRICE
41
DESCRIPTION
Raltitrexed (D1694)(IC50 of 9 nM), a thymidylate synthase inhibitor, is used for the inhibition of L1210 cell growth.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
15
Organisms
0
Compound Sets
30
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
Probe Miner (suitable probes)
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
57
Molecular Weight
458.13
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
4
Rotatable Bonds
9
Ring Count
3
Aromatic Ring Count
3
cLogP
1.98
TPSA
152.69
Fraction CSP3
0.29
Chiral centers
1.0
Largest ring
6.0
QED
0.38
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Nucleoside antimetabolite/analog
Thymidylate Synthase
FPGS, TYMS
DNA/RNA Synthesis,Thymidylate Synthase
Member status
member
MOA
dual thymidylate synthase and dihydrofolate reductase inhibitors
Thymidylate synthase inhibitor
Indication
mesothelioma
Therapeutic Class
Anticancer Agents
Pathway
Apoptosis
Cell Cycle/DNA Damage
Cell Cycle/Checkpoint
DNA Damage/DNA Repair
Source data
