Compound Detail
CHEMBL3590113
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Basic Information
| ChEMBL ID | CHEMBL3590113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTPBUYMKFQZQOW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.39
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 6.55 | 5.7667 | 280.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 280.0 | nM | 6.55 | Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrat... | 25977981 |
| Mitogen-activated protein kinase 1 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrat... | 25977981 |
| Mitogen-activated protein kinase 1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as ... | 25977981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25977981 | 10.1021/acs.jmedchem.5b00466 | Mitogen-activated protein kinase 1 | 3 |
| 25977981 | 10.1021/acs.jmedchem.5b00466 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
| 25977981 | 10.1021/acs.jmedchem.5b00466 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine