Compound Detail
CHEMBL5436376
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(c1ccc(-n2nnc3cccnc32)cc1)N(c1ncccc1OC(F)(F)F)[C@@H]1CCCNC1
Basic Information
| ChEMBL ID | CHEMBL5436376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAPGCMLFMDCNJN-QGZVFWFLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.4
MW (Da)
3.51
ALogP
8
HBA
1
HBD
98.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 9 CHEMBL2929 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Bone marrow cell CHEMBL4296515 | IC50 | 5.19 | 5.19 | 6440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proprotein convertase subtilisin/kexin type 9 | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of full length human PCSK9 expressed in human Huh-7 cells by ELISA an... | 37379958 |
| Bone marrow cell | IC50 | = | 6440.0 | nM | 5.19 | Cytotoxicity against rat Bone marrow cell assessed as inhibition of cell growth ... | 37379958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37379958 | 10.1016/j.bmcl.2023.129394 | Bone marrow cell | 2 |
| 37379958 | 10.1016/j.bmcl.2023.129394 | Proprotein convertase subtilisin/kexin type 9 | 1 |
| 37379958 | 10.1016/j.bmcl.2023.129394 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine