Compound Detail
CHEMBL2103875
TRAMETINIB 💊 Approved Drug
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💊 Approved Drug
CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1
Basic Information
| ChEMBL ID | CHEMBL2103875 |
| Name | TRAMETINIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | LIRYPHYGHXZJBZ-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
14
Targets
112
Activities
3
Assay Types
4
PK Parameters
20
Publications
8
Known Names
20
Indications
1
Mechanisms
Molecular Properties
615.4
MW (Da)
3.94
ALogP
8
HBA
2
HBD
107.1
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2013 |
| Availability | Unknown |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase; MEK1/2 inhibitor | INHIBITOR | Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | ✓ | ✓ |
Indications
Neoplasms Neoplasms Melanoma Melanoma Melanoma Sarcoma Thyroid Neoplasms Thyroid Neoplasms Thyroid Neoplasms Adenocarcinoma, Follicular Ameloblastoma Biliary Tract Neoplasms Breast Neoplasms Breast Neoplasms Carcinoma Carcinoma, Hepatocellular Carcinoma, Non-Small-Cell Lung Cholangiocarcinoma Colonic Neoplasms Colorectal Neoplasms
ATC Classification
L01EE01
trametinib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 107 meas. best 9.32
Kd 3 meas. best 8.52
EC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity mitogen-activated protein kinase kinase 2 CHEMBL2964 | IC50 | 9.32 | 8.2344 | 0.5 | 16 |
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | IC50 | 9.32 | 8.2944 | 0.5 | 16 |
| A-375 CHEMBL613859 | IC50 | 9.13 | 9.13 | 0.7 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 9.0 | 7.7978 | 1.0 | 55 |
| Dual specificity mitogen-activated protein kinase kinase; MEK1/2 CHEMBL2111289 | IC50 | 8.7 | 6.76 | 2.0 | 8 |
| Unchecked CHEMBL612545 | IC50 | 8.7 | 8.66 | 2.0 | 2 |
| HL-60 CHEMBL383 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 8.52 | 8.52 | 3.0 | 1 |
| Dual specificity mitogen-activated protein kinase kinase 2 CHEMBL2964 | Kd | 8.05 | 8.05 | 9.0 | 1 |
| KYSE-520 cell line CHEMBL612701 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.72 | 6.83 | 19.0 | 2 |
| Dual specificity mitogen-activated protein kinase kinase 1 CHEMBL3587 | Kd | 7.21 | 7.21 | 62.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | EC50 | 6.61 | 6.61 | 247.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.53 | 5.7633 | 296.0 | 3 |
| DLD-1 CHEMBL614285 | IC50 | 5.87 | 5.87 | 1340.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 40.0 | hr | Homo sapiens |
| T1/2 | 30.0 | hr | Rattus norvegicus |
| T1/2 | 0.4167 | hr | Homo sapiens |
| T1/2 | 12.4 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5303304 | U2OS | 10 |
| - | 10.6019/CHEMBL5444388 | Dual specificity mitogen-activated protein kinase kinase 1 | 10 |
| - | 10.6019/CHEMBL5444388 | Dual specificity mitogen-activated protein kinase kinase 2 | 10 |
| 26254279 | 10.18632/oncotarget.4214 | Dual specificity mitogen-activated protein kinase kinase; MEK1/2 | 9 |
| - | 10.6019/CHEMBL5724696 | U2OS | 8 |
| 38457912 | 10.1016/j.bmc.2024.117674 | NCI-H358 | 7 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| 29191878 | 10.1126/science.aan4368 | Unchecked | 5 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| 37130350 | 10.1021/acs.jmedchem.2c01844 | A549 | 4 |
| 38457912 | 10.1016/j.bmc.2024.117674 | ADMET | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 4 |
| - | 10.6019/CHEMBL5465560 | Dual specificity mitogen-activated protein kinase kinase 1 | 3 |
| 29133594 | 10.1158/1541-7786.mcr-17-0468 | Tyrosine-protein kinase receptor UFO | 3 |
| 29133594 | 10.1158/1541-7786.mcr-17-0468 | Dual specificity mitogen-activated protein kinase kinase 1 | 3 |
| 29133594 | 10.1158/1541-7786.mcr-17-0468 | Dual specificity mitogen-activated protein kinase kinase 2 | 3 |
| - | 10.6019/CHEMBL5465560 | Dual specificity mitogen-activated protein kinase kinase 2 | 2 |
Data from ChEMBL 36 via Core Engine