Methotrexate - Small Molecule (ID:10264-101)
HMS LINCS ID: | 10264-101 |
Name: | Methotrexate |
Alternative Names: | Rheumatrex; Trexall; Amethopterin; MTX |
LINCS ID: | LSM-5690 |
PubChem CID: | 126941 |
ChEBI ID: | |
ChEMBL ID: | 34259 |
Molecular Mass: | 454.17 |
InChi: | InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 |
InChi Key: | FBOZXECLQNJBKD-ZDUSSCGKSA-N |
SMILES: | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
Relevant Citations: | |
Comments: | |
Date Publicly Available: | |
Most Recent Update: | 2017-05-09 |
Target Affinity:
(see Study 20000)Target Affinity Spectrum Value | HUGO Gene Name |
---|---|
Dhfr, Dhfr, DHFR, DHFR, DHFR | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | FOLR1, FOLR2, SLC46A1 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | RFC1, SLC19A1 |
10 (confirmed non-binding) |
Datasets:
HMS Dataset ID | Dataset Title | HMS Dataset Type |
---|---|---|
20000 | Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library. | Analysis |
20268 | Growth rate-corrected (GR) dose-response metrics across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 1 of 4: Relative cell counts and normalized growth rate inhibition values across technical replicates. | Analysis |
20269 | Growth rate-corrected (GR) dose-response metrics across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 2 of 4: Calculated dose-response metrics. | Analysis |
20270 | Growth rate-corrected (GR) dose-response metric signatures across a panel of 71 breast cancer cell lines treated with a library of small molecule and antibody perturbagens. Dataset 3 of 4: Median, upper quartile, and lower quartile GR metrics per perturbagen. | Analysis |
Batch Information:
HMS LINCS Batch ID | Provider | Provider Batch ID |
---|---|---|
10264-101-1 | Tocris |
(Kd <100 nM)