Compound Detail
CHEMBL1201182
TEMSIROLIMUS 💊 Approved Drug
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💊 Approved Drug
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
Basic Information
| ChEMBL ID | CHEMBL1201182 |
| Name | TEMSIROLIMUS |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | CBPNZQVSJQDFBE-FUXHJELOSA-N |
| Therapeutic | ✓ Yes |
582
Targets
593
Activities
1
Assay Types
6
PK Parameters
20
Publications
3
Known Names
20
Indications
1
Mechanisms
Molecular Properties
1030.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2007 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| FK506-binding protein 1A inhibitor | INHIBITOR | Peptidyl-prolyl cis-trans isomerase FKBP1A | ✓ | ✓ |
Indications
Carcinoma, Renal Cell Carcinoma, Renal Cell Lymphoma, Mantle-Cell Neoplasms Neoplasms Breast Neoplasms Breast Neoplasms Breast Neoplasms Hepatoblastoma Lymphoma Neoplasm Metastasis Rhabdomyosarcoma, Alveolar Rhabdomyosarcoma, Embryonal Adenoma Arthritis, Rheumatoid Carcinoid Tumor Carcinoma, Endometrioid Carcinoma, Hepatocellular Carcinoma, Islet Cell Carcinoma, Non-Small-Cell Lung
ATC Classification
L01EG01
temsirolimus
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 593 meas. best 9.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HSC-4 CHEMBL1075469 | IC50 | 9.95 | 9.95 | 0.1 | 1 |
| L-363 CHEMBL2366267 | IC50 | 9.62 | 9.62 | 0.2 | 1 |
| Ramos-2G6-4C10 CHEMBL2366170 | IC50 | 9.47 | 9.47 | 0.3 | 1 |
| SBC-1 CHEMBL2366327 | IC50 | 9.35 | 9.35 | 0.4 | 1 |
| MHH-PREB-1 CHEMBL2366127 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| LNCaP CHEMBL612518 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| HH CHEMBL2366310 | IC50 | 9.18 | 9.18 | 0.7 | 1 |
| TYK-nu CHEMBL1075601 | IC50 | 9.11 | 9.11 | 0.8 | 1 |
| H4 CHEMBL1075452 | IC50 | 8.97 | 8.97 | 1.1 | 1 |
| K5 CHEMBL2366152 | IC50 | 8.88 | 8.88 | 1.3 | 1 |
| SK-NEP-1 CHEMBL1075580 | IC50 | 8.83 | 8.83 | 1.5 | 1 |
| PA-1 CHEMBL614949 | IC50 | 8.83 | 8.83 | 1.5 | 1 |
| 697 CHEMBL2366253 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| CTB-1 CHEMBL2366344 | IC50 | 8.53 | 8.53 | 2.9 | 1 |
| DB CHEMBL2366331 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| MLMA CHEMBL2366211 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| GAMG CHEMBL1075447 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| JVM-3 CHEMBL2366372 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| LAMA-84 CHEMBL2366090 | IC50 | 8.39 | 8.39 | 4.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 8.38 | 8.38 | 4.1 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| CAMA-1 CHEMBL1075416 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| SW780 CHEMBL1075595 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| SNU1 CHEMBL614931 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| BE-13 CHEMBL2366303 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| H9 CHEMBL614806 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| ES8 CHEMBL2366069 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
| DEL CHEMBL2366186 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
| CGTH-W-1 CHEMBL2366300 | IC50 | 8.24 | 8.24 | 5.8 | 1 |
| QIMR-WIL CHEMBL2366337 | IC50 | 8.24 | 8.24 | 5.7 | 1 |
| CHL-1 CHEMBL1075422 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
| VA-ES-BJ CHEMBL2366259 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
| A2780 CHEMBL614004 | IC50 | 8.23 | 8.23 | 5.9 | 1 |
| BB65-RCC CHEMBL2366247 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| D-566MG CHEMBL2366336 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| HO-1-N-1 CHEMBL1075466 | IC50 | 8.09 | 8.09 | 8.2 | 1 |
| RS4-11 CHEMBL2366159 | IC50 | 8.07 | 8.07 | 8.4 | 1 |
| PC-3 CHEMBL390 | IC50 | 8.04 | 8.04 | 9.1 | 1 |
| HGC-27 CHEMBL1075463 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
| NB69 CHEMBL1075510 | IC50 | 8.02 | 8.02 | 9.5 | 1 |
| NCI-H720 CHEMBL2366105 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
| NCI-H292 CHEMBL614733 | IC50 | 8.01 | 8.01 | 9.8 | 1 |
| A3-KAW CHEMBL2366273 | IC50 | 7.98 | 7.98 | 10.4 | 1 |
| DU-4475 CHEMBL2366246 | IC50 | 7.93 | 7.93 | 11.7 | 1 |
| J-RT3-T3-5 CHEMBL2366219 | IC50 | 7.91 | 7.91 | 12.4 | 1 |
| Huh-7 CHEMBL614039 | IC50 | 7.91 | 7.91 | 12.3 | 1 |
| VM-CUB-1 CHEMBL1075607 | IC50 | 7.9 | 7.9 | 12.7 | 1 |
| MOLT-16 CHEMBL2366362 | IC50 | 7.89 | 7.89 | 12.8 | 1 |
| KG-1 CHEMBL612264 | IC50 | 7.89 | 7.89 | 12.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1963.75 | ng.hr.mL-1 | Homo sapiens |
| CL | 7.7 | mL.min-1.kg-1 | Homo sapiens |
| CL | 150.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| F | 1.5 | % | Homo sapiens |
| MRT | 10.0 | hr | Homo sapiens |
| T1/2 | 18.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine