Imatinib (STI571)
Summary
- Atlas ligand ID
PVL00129- ChEMBL
- CHEMBL1642
- Status
- approved (max phase 4)
- ATC
- L01EA01Antineoplastic agents
- InChIKey
- KTUFNOKKBVMGRW-UHFFFAOYSA-N
- Docked SMILES
- Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
- Synonyms
- Glamox, Imatinib
- Vendor catalogue
- Selleck S1026 · S2475
Indications (ChEMBL)
What the compound is approved for or was tested against in clinical trials, highest phase first. Indications belong to the drug, not to a protein-drug pair. Source: ChEMBL 37 drug_indication, via the parent compound (parent compound CHEMBL941).
| Indication | EFO | MeSH heading | Max phase |
|---|---|---|---|
| acute lymphoblastic leukemia | EFO:0000220 | Precursor Cell Lymphoblastic Leukemia-Lymphoma | approved |
| B-cell acute lymphoblastic leukemia | EFO:0000094 | Precursor Cell Lymphoblastic Leukemia-Lymphoma | approved |
| Blast Phase Chronic Myelogenous Leukemia, BCR-ABL1 Positive | EFO:1000131 | Leukemia, Myelogenous, Chronic, BCR-ABL Positive | approved |
| childhood acute lymphoblastic leukemia | MONDO:0000870 | Precursor Cell Lymphoblastic Leukemia-Lymphoma | approved |
| chronic myelogenous leukemia | EFO:0000339 | Leukemia, Myelogenous, Chronic, BCR-ABL Positive | approved |
| dermatofibrosarcoma protuberans | MONDO:0011934 | Dermatofibrosarcoma | approved |
| gastrointestinal stromal tumor | MONDO:0011719 | Gastrointestinal Stromal Tumors | approved |
| Hypereosinophilic syndrome | EFO:1001467 | Hypereosinophilic Syndrome | approved |
| lymphoblastic lymphoma | MONDO:0000873 | Precursor Cell Lymphoblastic Leukemia-Lymphoma | approved |
| myelodysplastic/myeloproliferative disease | MONDO:0020077 | Myelodysplastic-Myeloproliferative Diseases | approved |
| astrocytoma | EFO:0000272 | Astrocytoma | phase 3 |
| cancer | MONDO:0004992 | Neoplasms | phase 3 |
Proteins
How to read the scores
- Vina scores are docking scores in kcal/mol, not measured affinities. More negative is better.
- Large ligands get better scores almost everywhere. Compare a drug with other drugs on the same protein (rank), and a protein with other proteins for the same drug.
- PoseBusters checked only the highest-affinity pose of each pair. A timeout or a PoseBusters error means not checked, not failed.
- No ChEMBL evidence does not mean no binding; most pairs were never tested.
- Some salt entries were docked as their counter-ion, a solvent or a product component, not as the drug. Their rows say what was docked and keep their scores and poses; the desalted form of such a salt (<catalogue number>-desalted) is listed on the drug's page.
0 of 0
Downloads
- Protein tablethe proteins with the highest affinity: affinity, pocket, mode, PoseBusters, ChEMBL evidence (gzip JSON)Download
- Protein table, all proteinsevery docked protein (gzip JSON)Download
- 2D structuredrawn from the docked SMILESDownload SVG
Poses of a pair are on its protein page (Downloads), or select pairs in the table and download them together.