Compound Detail
CHEMBL2441600
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(NC(=O)C2=C(c3ccc(C)cc3)CC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)NC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL2441600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBBPRPJENPWDPL-UHFFFAOYSA-N |
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
606.6
MW (Da)
7.09
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2321630 | IC50 | 8.17 | 7.354 | 6.7 | 5 |
| 2-acylglycerol O-acyltransferase 2 CHEMBL2439944 | IC50 | 8.15 | 7.985 | 7.0 | 2 |
| Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase CHEMBL2375203 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900580 | 10.1021/ml400272q | 2-acylglycerol O-acyltransferase 2 | 2 |
| 34613725 | 10.1021/acs.jmedchem.1c01356 | Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase | 2 |
| 34613725 | 10.1021/acs.jmedchem.1c01356 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine