Compound Detail
CHEMBL3949051
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3949051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPMOHIJBIADDMK-CTNGQTDRSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
4.04
ALogP
5
HBA
2
HBD
90.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 CHEMBL4040 | IC50 | 10.07 | 9.83 | 0.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 1 | IC50 | = | 0.0842 | nM | 10.07 | ERK2 (20 pM) Kinase Assay: Compound potency against activated ERK2 was determine... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.183 | nM | 9.74 | AlphaScreen Assay: Compound potency against activated ERK2 is determined using a... | - |
| Mitogen-activated protein kinase 1 | IC50 | = | 0.207 | nM | 9.68 | Kinase Assay (New): Compound potency against activated ERK2 is determined using ... | - |
Data from ChEMBL 36 via Core Engine