Compound Detail
CHEMBL4800384
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
CCn1cc(/C(=N/Nc2nc(-c3ccc(Cl)cc3)c(C#N)s2)C(F)(F)F)c2cc(-c3nc(CN4CCC(C)CC4)cs3)ccc21
Basic Information
| ChEMBL ID | CHEMBL4800384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOGLRMMAUGNBIP-MIDJFWNWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
668.2
MW (Da)
9.04
ALogP
9
HBA
1
HBD
82.1
PSA (Ų)
0.13
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3691 | IC50 | 5.38 | 5.38 | 4210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 4210.0 | nM | 5.38 | Inhibition of human C-terminal His6-tagged ATX beta expressed in Sf9 insect cell... | 32535330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32535330 | 10.1016/j.ejmech.2020.112456 | Autotaxin | 1 |
Data from ChEMBL 36 via Core Engine