Compound Detail
CHEMBL2408790
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COc1cccc(F)c1CN1CCC[C@@H](NC(=O)Nc2cc3[nH]nc(-c4ccnc(C)c4)c3cn2)C1
Basic Information
| ChEMBL ID | CHEMBL2408790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVXUHZBHADDLFR-GOSISDBHSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
4.26
ALogP
6
HBA
3
HBD
108.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL2207 | IC50 | 9.82 | 9.82 | 0.2 | 2 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 9.54 | 9.54 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.1524 | nM | 9.82 | Inhibition of mouse ERK2 pre-incubation for 15 mins before substrate addition me... | 24900713 |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.1524 | nM | 9.82 | IMAP-FP Assay: Activated ERK2 activity was determined in an IMAP-FP assay (Molec... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.2857 | nM | 9.54 | Inhibition of human ERK2 pre-incubation for 15 mins before substrate addition me... | 24900713 |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.2857 | nM | 9.54 | IMAP-FP Assay: Activated ERK2 activity was determined in an IMAP-FP assay (Molec... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900713 | 10.1021/ml400178q | Mitogen-activated protein kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine