Compound Detail
CHEMBL6042369
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
COc1ccc(-c2cnc(Nc3ccc(Cl)c(C)c3)nc2NC2CCN(C(=O)C(F)(F)F)CC2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL6042369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKXRYOOPYMOGHI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
550.0
MW (Da)
5.83
ALogP
7
HBA
2
HBD
88.6
PSA (Ų)
0.38
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 7.04 | 7.04 | 91.0 | 1 |
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer | IC50 | = | 91.0 | nM | 7.04 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 780.0 | nM | 6.11 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 6300.0 | nM | 5.2 | Verification on Inhibitory Activities of TAM Receptor Inhibiting Compounds on Ty... | - |
Data from ChEMBL 36 via Core Engine