Compound Detail
CHEMBL3590109
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Basic Information
| ChEMBL ID | CHEMBL3590109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URRXSHLGWLQOEC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
0.90
ALogP
6
HBA
1
HBD
84.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 6.66 | 6.57 | 220.0 | 3 |
| Mitogen-activated protein kinase; ERK1/ERK2 CHEMBL1907606 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.2567 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrat... | 25977981 |
| Mitogen-activated protein kinase 1 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as ... | 25977981 |
| Mitogen-activated protein kinase 1 | IC50 | = | 370.0 | nM | 6.43 | Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrat... | 25977981 |
| Mitogen-activated protein kinase; ERK1/ERK2 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of ERK1/2 in human A375 cells harboring B-RAF V600E mutant assessed a... | 25977981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25977981 | 10.1021/acs.jmedchem.5b00466 | No relevant target | 5 |
| 25977981 | 10.1021/acs.jmedchem.5b00466 | Mitogen-activated protein kinase 1 | 4 |
| 25977981 | 10.1021/acs.jmedchem.5b00466 | Unchecked | 2 |
| 25977981 | 10.1021/acs.jmedchem.5b00466 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
| 25977981 | 10.1021/acs.jmedchem.5b00466 | Dual specificity mitogen-activated protein kinase kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine