Compound Detail
CHEMBL4215630
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
COCCOCOc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C
Basic Information
| ChEMBL ID | CHEMBL4215630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFUOBHMVWSKKKO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
502.6
MW (Da)
7.38
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Retinoic acid receptor gamma CHEMBL2003 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.0001 | - | Not specified |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Retinoic acid receptor gamma | EC50 | = | 120.0 | nM | 6.92 | Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) lig... | 29706423 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29706423 | 10.1016/j.bmcl.2018.04.036 | Retinoic acid receptor gamma | 1 |
| 29706423 | 10.1016/j.bmcl.2018.04.036 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine