Compound Detail
CHEMBL5687004
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O=C1CCCN1c1cc(S(=O)(=O)Nc2c(F)cc(Cl)cc2F)cc2c1N(c1ccc(-c3ccc(C(F)(F)F)cc3)cc1)CC2
Basic Information
| ChEMBL ID | CHEMBL5687004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKTLKQSZDGVDRB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
648.0
MW (Da)
7.93
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-acylglycerol O-acyltransferase 2 CHEMBL2439944 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-acylglycerol O-acyltransferase 2 | IC50 | = | 0.25 | nM | 9.6 | Inhibition of N-terminal FLAG-tagged full-length human MGAT2 expressed in human ... | 26100443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26100443 | 10.1016/j.bmc.2015.06.003 | NIH3T3 | 2 |
| 26100443 | 10.1016/j.bmc.2015.06.003 | Cytochrome P450 3A4 | 1 |
| 26100443 | 10.1016/j.bmc.2015.06.003 | No relevant target | 1 |
| 26100443 | 10.1016/j.bmc.2015.06.003 | 2-acylglycerol O-acyltransferase 2 | 1 |
Data from ChEMBL 36 via Core Engine