Pemetrexed - Small Molecule (ID:10272-999)
| HMS LINCS ID: |
10272-999
|
| Name: | Pemetrexed |
| Alternative Names: | Alimta |
| LINCS ID: | LSM-6353 |
| PubChem CID: | 446556 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 427.15 |
| InChi: | InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1 |
| InChi Key: | WBXPDJSOTKVWSJ-ZDUSSCGKSA-N |
| SMILES: | C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-05-06 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
FOLR1, SLC46A1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | Dhfr, DHFR, FOLR2, GART, RFC1, SLC19A1, Tyms, TYMS |
10 (confirmed non-binding) |
Batch Information for HMSL10272-999-1:
| HMS LINCS Batch ID: | 10272-999-1 |
| Provider: | Eli Lilly and Company |
| Provider Batch ID: | |
| Salt: | 999 |
| Molecular Formula: | |
| Molecular Weight: | |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2012-11-14 |
| Most Recent Update: | 2016-12-02 |
(Kd <100 nM)