Compound Detail
CHEMBL491809
OBOVATOR Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL491809 |
| Name | OBOVATOR |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPGPFZQBCIAFLI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
4.35
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3300.0 | nM | 5.48 | Antiinflammatory activity in human neutrophils assessed as inhibition of FMLP/CB... | 26928286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18762427 | 10.1016/j.bmc.2008.08.033 | SW-620 | 27 |
| 18762427 | 10.1016/j.bmc.2008.08.033 | MDA-MB-231 | 3 |
| 26928286 | 10.1016/j.bmc.2016.01.049 | NON-PROTEIN TARGET | 3 |
| 18762427 | 10.1016/j.bmc.2008.08.033 | Mus musculus | 1 |
| 18762427 | 10.1016/j.bmc.2008.08.033 | NON-PROTEIN TARGET | 1 |
| 18762427 | 10.1016/j.bmc.2008.08.033 | HT-29 | 1 |
| 18762427 | 10.1016/j.bmc.2008.08.033 | DLD-1 | 1 |
| 18762427 | 10.1016/j.bmc.2008.08.033 | MCF7 | 1 |
| 18762427 | 10.1016/j.bmc.2008.08.033 | DU-145 | 1 |
| 18762427 | 10.1016/j.bmc.2008.08.033 | PC-3 | 1 |
| 18762427 | 10.1016/j.bmc.2008.08.033 | K562 | 1 |
| 26928286 | 10.1016/j.bmc.2016.01.049 | Neutrophil | 1 |
Data from ChEMBL 36 via Core Engine