Compound Detail
CHEMBL3663099
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Basic Information
| ChEMBL ID | CHEMBL3663099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBRXWFNIJBDFON-CYBMUJFWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.91
ALogP
5
HBA
3
HBD
104.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 9.05 | 9.04 | 0.9 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.9 | nM | 9.05 | Inhibition of human ERK2 preincubated for 15 mins followed by addition of IMAP p... | 27329786 |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.9282 | nM | 9.03 | IMAP-FP Assay: Activated ERK2 activity was determined in an IMAP-FP assay (Molec... | - |
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Inhibition of ERK in human A375SM cells harboring BRAF V600E mutant assessed as ... | 27329786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27329786 | 10.1021/acs.jmedchem.6b00708 | Mitogen-activated protein kinase 1 | 1 |
| 27329786 | 10.1021/acs.jmedchem.6b00708 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine