Compound Detail
CHEMBL4650285
TEMUTERKIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL4650285 |
| Name | TEMUTERKIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JNPRPMBJODOFEC-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
7
Publications
4
Known Names
5
Indications
1
Mechanisms
Molecular Properties
453.6
MW (Da)
2.71
ALogP
9
HBA
1
HBD
88.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Mitogen-activated protein kinase; ERK1/ERK2 inhibitor | INHIBITOR | Mitogen-activated protein kinase; ERK1/ERK2 | ✓ | ✓ |
Indications
Neoplasms Neoplasms Pancreatic Neoplasms Leukemia, Myeloid, Acute Glioblastoma
Activity Summary
IC50 5 meas. best 8.3
Ki 2 meas. best 10.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | Ki | 10.19 | 10.19 | 0.1 | 1 |
| Mitogen-activated protein kinase 3 CHEMBL3385 | Ki | 9.19 | 9.19 | 0.7 | 1 |
| Mitogen-activated protein kinase 3 CHEMBL3385 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| SK-MEL-2 CHEMBL614917 | IC50 | 6.0 | 6.0 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | Ki | = | 0.064 | nM | 10.19 | Binding affinity to ERK2 (unknown origin) | 36205714 |
| Mitogen-activated protein kinase 3 | Ki | = | 0.65 | nM | 9.19 | Binding affinity to ERK1 (unknown origin) | 36205714 |
| Mitogen-activated protein kinase 1 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of ERK2 (unknown origin) | 36205714 |
| Mitogen-activated protein kinase 3 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of ERK1 (unknown origin) | 36205714 |
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Inhibition of MAPK/ERK signaling pathway in human NCI-H1975 cells | 38295689 |
| SK-MEL-2 | IC50 | = | 1000.0 | nM | 6.0 | Synergistic cytotoxicity against human SK-MEL-2 cells expressing NRAS mutant ass... | 36961300 |
| SK-MEL-2 | IC50 | = | 1000.0 | nM | 6.0 | Synergistic cytotoxicity against human SK-MEL-2 cells expressing NRAS mutant ass... | 36961300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 8 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 5 |
| 36961300 | 10.1021/acs.jmedchem.3c00094 | SK-MEL-2 | 5 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 4 |
| 36205714 | 10.1021/acs.jmedchem.2c01244 | Mitogen-activated protein kinase 1 | 2 |
| 36205714 | 10.1021/acs.jmedchem.2c01244 | Mitogen-activated protein kinase 3 | 2 |
| 38295689 | 10.1016/j.ejmech.2023.116117 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine