Compound Detail
CHEMBL5862361
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
O=C(NCC1[C@H]2CN(C(=O)OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C[C@@H]12)c1ccc2n[nH]nc2c1
Basic Information
| ChEMBL ID | CHEMBL5862361 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDOBSAPHUUUOHX-ALOPSCKCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
527.4
MW (Da)
4.24
ALogP
5
HBA
2
HBD
100.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3691 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 2.2 | nM | 8.66 | Biochemical ATX Assay (Assay A): 5 nM recombinant ATX (Cayman Chemicals) was sup... | - |
Data from ChEMBL 36 via Core Engine