Compound Detail
CHEMBL4875701
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(F)cc1[C@H](Cn1c(=O)n(C(C)(C)C(=O)NS(=O)(=O)C2(C)CC2)c(=O)c2c(C)c(-n3nccn3)sc21)O[C@@H]1C[C@H]2CC[C@@H](C1)O2
Basic Information
| ChEMBL ID | CHEMBL4875701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGPOARRCFDZNOT-MTQWNXOMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
730.8
MW (Da)
3.46
ALogP
14
HBA
1
HBD
165.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetyl-CoA carboxylase 1 CHEMBL3351 | EC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetyl-CoA carboxylase 1 | EC50 | = | 0.3 | nM | 9.52 | Inhibition of ACC1 in human HepG2 cells assessed as lipid content using 13C-labe... | 34055213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34055213 | 10.1021/acsmedchemlett.1c00208 | Acetyl-CoA carboxylase 1 | 1 |
Data from ChEMBL 36 via Core Engine