General
Preferred name
pemetrexed
Synonyms
Alimta ()
Pemetrexed disodium ()
P&D ID
PD009875
CAS
150399-23-8
Tags
natural product
drug
available
Drug Status
approved
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Inhibits dihydrofolate reductase, GAR transformylase and thymidylate synthase.
Marketed formulations may contain pemetrexed disodium (PubChem CID 46931002). (GtoPdb)
Compound Sets
7
Concise Guide to Pharmacology 2017/18
6837
Concise Guide to Pharmacology 2019/20
6837
Concise Guide to Pharmacology 2021/22
6837
Concise Guide to Pharmacology 2023/24
6837
Enamine BioReference Compounds
Guide to Pharmacology
6837
NPC Screening Collection
External IDs
31
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)
Source data