General
Preferred name
NOLATREXED
Synonyms
Thymitaq ()
AG 337 ()
Nolatrexed 2HCl ()
Nolatrexed dihydrochloride ()
Nolatrexed (hydrochloride) ()
P&D ID
PD056140
CAS
147149-76-6
152946-68-4
Tags
available
drug candidate
Drug indication
Liver cancer
Solid tumour/cancer
Drug Status
investigational
Max Phase
3.0
Probe control
Probe control not defined
Orthogonal probes
0
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)
PRICE
92
DESCRIPTION
Nolatrexed dihydrochloride (AG 337) is an orally active and non-competitive lipophilic inhibitor of thymidylate synthase with a Ki of 11 nM for human thymidylate synthase. Nolatrexed dihydrochloride interacts at the folate cofactor binding site of the enzyme. Nolatrexed dihydrochloride increases sulfotransferases. Nolatrexed dihydrochloride induces cell cycle arrest in S phase of cancer cells. Nolatrexed dihydrochloride exhibits anticancer activity against cervical cancer.
PRICE
56
DESCRIPTION
Nolatrexed occupies the folate binding site of thymidylate synthase, resulting in inhibition of thymidylate synthase activity and thymine nucleotide synthesis with subsequent inhibition of DNA replication, DNA damage, S-phase cell cycle arrest, and caspase-dependent apoptosis. This agent also exhibits radiosensitizing activity.
(BOC Sciences Bioactive Compounds)
DESCRIPTION
Nolatrexed is a thymidylate synthase inhibitor with potential anticancer activity.
(TargetMol Bioactive Compound Library)
DESCRIPTION
Nolatrexed dihydrochloride (Thymitaq) is the dihydrochloride salt of nolatrexed, a water-soluble lipophilic quinazoline folate analog with antineoplastic activity. Nolatrexed occupies the folate binding site of thymidylate synthase, resulting in inhibition of thymidylate synthase activity and thymine nucleotide synthesis with subsequent inhibition of DNA replication, DNA damage, S-phase cell cycle arrest, and caspase-dependent apoptosis. This agent also exhibits radiosensitizing activity.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
5
Organisms
0
Compound Sets
13
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugMAP
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
55
Molecular Weight
284.07
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
3
cLogP
2.36
TPSA
84.66
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.75
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Thymidylate Synthase
TYMS
MOA
Thymidylate synthase inhibitor
Pathway
Apoptosis
Cell Cycle/Checkpoint
DNA Damage/DNA Repair
Source data
