General
Preferred name
LOMETREXOL
Synonyms
Lometrexol hydrate ()
DDATHF ()
Lometrexol (hydrate) ()
LY264618 ()
P&D ID
PD017517
CAS
106400-81-1
Tags
available
probe
drug candidate
Drug Status
investigational
Max Phase
2.0
Drug indication
Neoplasm
Probe info
Probe type
P&D approved
calculated probe
Probe selectivity
protein-selective
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
4
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
Lometrexol (DDATHF), an antipurine antifolate, can inhibit the activity of glycinamide ribonucleotide formyltransferase (GARFT) but do not induce detectable levels of DNA strand breaks. Lometrexol can further inhibit de novo purine synthesis, causing abnormal cell proliferation and apoptosis, even cell cycle arrest. Lometrexol has anticancer activity. Lometrexol also is a potent human Serine hydroxymethyltransferase1/2 (hSHMT1/2) inhibitor[1][2][3].
PRICE
298
DESCRIPTION
Lometrexol (LY 264618), an antipurine Antifolate, can inhibit the activity of glycinamide ribonucleotide formyltransferase (GARFT) but do not induce detectable levels of DNA strand breaks. Lometrexol can further inhibit de novo purine synthesis, causing abnormal cell proliferation and Apoptosis, even cell cycle arrest. Lometrexol has anticancer activity. Lometrexol also is a potent human Serine hydroxymethyltransferase1/2 (hSHMT1/2) inhibitor.
DESCRIPTION
Lometrexol is a folate analog antimetabolite with antineoplastic activity. As the 6R diastereomer of 5,10-dideazatetrahydrofolate, lometrexol inhibits glycinamide ribonucleotide formyltransferase (GARFT), the enzyme that catalyzes the first step in the de novo purine biosynthetic pathway, thereby inhibiting DNA synthesis, arresting cells in the S phase of the cell cycle, and inhibiting tumor cell proliferation. The agent has been shown to be active against tumors that are resistant to the folate antagonist methotrexate.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
6
Organisms
0
Compound Sets
10
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
ChEMBL Drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
MedChem Express Bioactive Compound Library
Other bioactive compounds
Probe Miner (suitable probes)
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
36
Molecular Weight
443.18
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
6
Rotatable Bonds
9
Ring Count
3
Aromatic Ring Count
2
cLogP
0.62
TPSA
187.5
Fraction CSP3
0.38
Chiral centers
2.0
Largest ring
6.0
QED
0.32
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
GART
Antifolate
Apoptosis
Bcl-2 Family
Caspase
MOA
glycinamide ribonucleotide formyltransferase inhibitor
Pathway
Cell Cycle/DNA Damage
Source data
