General
Preferred name
pemetrexed
Synonyms
Alimta ()
Pemetrexed acid ()
LY231514 ()
LY231514 Disodium Hydrate ()
LY231514 disodium ()
Pemetrexed Disodium Hydrate ()
LY-231514 Disodium Hydrate ()
Pemetrexed sodium hydrate ()
LY-231514 ()
Pemetrexed disodium ()
Pemetrexed disodium (Alimta) ()
Pemetrexed (disodium) ()
Pemetrexed disodium hemipenta hydrate ()
RolazarTifolarAlimtaPemetrexed, Disodium salt, HeptahydrateN-[4-[2-(2-Amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid, disodium heptahydrate ()
LY231514 (disodium) ()
Pemetrexed (LY-231514) disodium ()
LY-231514 disodium ()
LY231514, Alimta ()
Pemetrexed sandoz ()
Pemetrexed lilly ()
LY231514 DISODIUM SALT ()
Pemetrexed baxter ()
LY-231514 DISODIUM SALT ()
Pemetrexed sodium salt ()
Pemetrexed disodium heptahydrate ()
NSC-698037 ()
Pemfexy ()
Pemetrexed accord ()
Pemetrexed krka ()
Pemetrexed sodium hemipentahydrate ()
Pemetrexed pfizer (previously pemetrexed hospira) ()
Pemetrexed medac ()
Ciambra ()
PEMETREXED DISODIUM HEMIPENTAHYDRATE ()
Pemetrexed ditrometamol ()
Pemetrexed tromethamine anhydrous ()
Pemetrexed ditromethamine dihydrate ()
Pemetrexed pfizer (previously known as pemetrexed hospira uk limited) ()
Pemetrexed ditromethamine ()
PEMETREXED TROMETHAMINE ()
Armisarte (previously pemetrexed actavis) ()
Armisarte ()
Pemetrexed fresenius kabi ()
Pemetrexed diacid monohydrate ()
PEMETREXED MONOHYDRATE ()
PEMETREXED DIPOTASSIUM ()
Pemetrexed (sodium salt hydrate) ()
Pemetrexed-13C5 (sodium salt hydrate) ()
P&D ID
PD016163
CAS
137281-23-3
150399-23-8
1006872-74-7
357166-30-4
357166-29-1
Tags
available
drug
Approved by
FDA
EMA
PMDA
First approval
2004
2017
2016
2015
2024
Drug indication
Mesothelioma
non-small cell lung carcinoma
lung large cell carcinoma
Neoplasm
Malignant pleural mesothelioma
Adenocarcinoma
Drug Status
investigational
approved
Max Phase
4.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION Pemetrexed (LY231514) is an antifolate, the Ki values of the pentaglutamate of Pemetrexed (LY231514) are 1.3, 7.2, and 65 nM for inhibits thymidylate synthase (TS), dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT), respectively[1].
PRICE 29
PRICE 29
DESCRIPTION Plasminogen activator inhibitor-1 (PAI-1) inhibitor (Tocris Bioactive Compound Library)
DESCRIPTION Pemetrexed (LY-231514 Disodium Hydrate), a guanine-derived antineoplastic agent, binds to and inhibits the enzyme thymidylate synthase (TS). (TargetMol Bioactive Compound Library)
DESCRIPTION Pemetrexed disodium (LY-231514) is a parenterally administered folate antagonist and antineoplastic agent, used in the treatment of non-small cell lung cancer and malignant mesothelioma. Pemetrexed disodium therapy has been associated with moderate rates of serum enzyme elevations during therapy, but has not been convincingly linked to instances of acute, clinically apparent liver injury. (TargetMol Bioactive Compound Library)
DESCRIPTION Pemetrexed disodium hemipenta hydrate (LY-231514 Disodium Hydrate) is a new-type antifolate and antimetabolite for TS, DHFR, and GARFT. The Ki of Pemetrexed Disodium Hydrate for TS, DHFR and GARFT is 1.3 nM, 7.2 nM and 65 nM, respectively. (TargetMol Bioactive Compound Library)
Cell lines
17
Organisms
0
Compound Sets
28
AdooQ Bioactive Compound Library
A10707
Axon Medchem Screening Library
3162
Cayman Chemical Bioactives
14269
26677
ChEMBL Approved Drugs
CHEMBL2360464
CHEMBL225072
CHEMBL6068335
CHEMBL3989962
CHEMBL5315053
CHEMBL6068329
ChEMBL Drugs
CHEMBL2360464
CHEMBL225072
CHEMBL6068335
CHEMBL3989962
CHEMBL5315053
CHEMBL6068329
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB00642
DrugBank Approved Drugs
DB00642
DrugCentral
2073
DrugCentral Approved Drugs
2073
DrugMAP
DMMX2E6
DrugMAP Approved Drugs
DMMX2E6
Enamine Bioactive Compounds
EBC-24033
EU-OPENSCREEN Bioactive Compound Library
EOS101754
LINCS compound set
10272-999
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL225072
MedChem Express Bioactive Compound Library
HY-10820A
HY-10820
Natural product-based probes and drugs
NCATS Inxight Approved Drugs
04Q9AIZ7NO
NIH Approved Oncology Drugs
440814388
Novartis Chemogenetic Library (NIBR MoA Box)
Other bioactive compounds
Prestwick Chemical Library
Selleckchem Bioactive Compound Library
Pemetrexed-disodium
pemetrexed
TargetMol Bioactive Compound Library
T0189L
T0189
T6226
The Spectrum Collection
Tocris Bioactive Compound Library
6185
External IDs
1299
Properties
(calculated by RDKit )
Molecular Weight
427.15
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
6
Rotatable Bonds
9
Ring Count
3
Aromatic Ring Count
3
cLogP
0.67
TPSA
191.26
Fraction CSP3
0.25
Chiral centers
1.0
Largest ring
6.0
QED
0.29
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Autophagy
Cell Cycle/Checkpoint
DNA Damage/DNA Repair
Metabolism
Apoptosis
Cell Cycle/DNA Damage
Primary Target
Thymidylate Synthetase
MOA
DHFR inhibitor
DNA/RNA Synthesis inhibitor
Inhibitor
de novo synthesis inhibitor
Antimetabolites
dihydrofolate reductase inhibitor, thymidylate synthase inhibitor
Target
DHFR
GARFT
Thymidylate Synthase
ATIC, DHFR, GART, TYMS
DHFR/TS/GARFT inhibitor
Apoptosis related,Autophagy,DHFR,DNA/RNA Synthesis,Thymidylate Synthase
Antifolate
Member status
virtual
Indication
non-small cell lung cancer (NSCLC), mesothelioma
Biosynthetic Origin
Other (Folate)
Therapeutic Indication
Anticancer
Therapeutic Class
Anticancer Agents
Source data