Compound Detail
CHEMBL5430105
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Oc1cc(-c2nc3c4c(nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c2F)N2C[C@H]4CC[C@H](N4)[C@H]2CO3)c2c(Cl)cccc2c1
Basic Information
| ChEMBL ID | CHEMBL5430105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAFOQUTZMCAMCY-GCPBGNKVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
621.1
MW (Da)
5.00
ALogP
9
HBA
2
HBD
95.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase; ERK1/ERK2 CHEMBL1907606 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase; ERK1/ERK2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of ERK1/2 phosphorylation in human PANC-1 cells incubated for 3 hrs | 37583832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37583832 | 10.1021/acsmedchemlett.3c00277 | Mitogen-activated protein kinase; ERK1/ERK2 | 1 |
Data from ChEMBL 36 via Core Engine