Compound Detail
CHEMBL3899711
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Basic Information
| ChEMBL ID | CHEMBL3899711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPLNLOJZEWIBMR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
4.32
ALogP
6
HBA
0
HBD
71.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of recombinant pre-activated GST-tagged JNK3 (unknown origin) using b... | - |
| Mitogen-activated protein kinase 9 | IC50 | = | 250.0 | nM | 6.6 | Inhibition of recombinant pre-activated GST-tagged JNK2 (unknown origin) using b... | - |
Data from ChEMBL 36 via Core Engine