Compound Detail
CHEMBL3808617
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
Basic Information
| ChEMBL ID | CHEMBL3808617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFNWKIKMTQIWHU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
3.18
ALogP
6
HBA
3
HBD
79.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer | IC50 | = | 680.0 | nM | 6.17 | Inhibition of MERTK (unknown origin) using EFPIYDFLPAKKK-CONH2 as substrate and ... | 27238842 |
| Unchecked | IC50 | = | 40000.0 | nM | 4.4 | Induction of disruption of r(CCUG)12-MBNL1 complex (unknown origin) incubated fo... | 34101465 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34101465 | 10.1021/acs.jmedchem.1c00414 | Unchecked | 3 |
| 27238842 | 10.1016/j.bmc.2016.05.025 | NON-PROTEIN TARGET | 2 |
| 27238842 | 10.1016/j.bmc.2016.05.025 | No relevant target | 2 |
| 27238842 | 10.1016/j.bmc.2016.05.025 | A549 | 1 |
| 27238842 | 10.1016/j.bmc.2016.05.025 | Tyrosine-protein kinase Mer | 1 |
| 27238842 | 10.1016/j.bmc.2016.05.025 | KB | 1 |
| 27238842 | 10.1016/j.bmc.2016.05.025 | MV4-11 | 1 |
| 34101465 | 10.1021/acs.jmedchem.1c00414 | Fibroblast | 1 |
| - | 10.6019/EOS300108 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine