General
Preferred name
EDATREXATE
Synonyms
GNF-Pf-63 ()
CGP-30694 ()
TCMDC-137768 ()
CGP 30694 ()
NSC-626715 ()
P&D ID
PD072438
CAS
80576-83-6
Tags
probe
natural product
drug
First approval
1978
Drug indication
Antineoplastic
Discovery agent
Drug Status
approved
Probe info
Probe type
calculated probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
7
No orthogonal probes found
Similar probes
14
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
Edatrexate is a polyglutamatable folate antagonist analogue of methotrexate with antineoplastic activity. Edatrexate inhibits dihydrofolate reductase, thereby increasing cellular levels of polyglutamates, inhibiting thymidylate synthase and glycinamide ribonucleotide formyl transferase, impairing synthesis of purine nucleotides and amino acids, and resulting in tumor cell death. Edatrexate may overcome tumor resistance to methotrexate, which loses its activity after it is polyglutamated.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
6
Organisms
3
Compound Sets
7
BOC Sciences Bioactive Compounds
ChEMBL Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
Novartis Chemogenetic Library (NIBR MoA Box)
Probe Miner (suitable probes)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Molecular Weight
467.19
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
5
Rotatable Bonds
10
Ring Count
3
Aromatic Ring Count
3
cLogP
1.37
TPSA
207.3
Fraction CSP3
0.32
Chiral centers
2.0
Largest ring
6.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
member
MOA
Antimetabolites
Dihydrofolate Reductase (DHFR) Inhibitors
Source data
