Compound Detail
CHEMBL3236515
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O=C(Oc1c(-c2ccc(O)cc2)c(O)c2oc3cc(O)c(O)cc3c2c1OC(=O)c1ccc(O)cc1)c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL3236515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHCMVVTZHBUTHV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
580.5
MW (Da)
5.93
ALogP
11
HBA
6
HBD
187.1
PSA (Ų)
0.08
QED
4
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RBL-2H3 CHEMBL614632 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RBL-2H3 | IC50 | = | 890.0 | nM | 6.05 | Inhibition of TNF-alpha production in rat RBL2H3 cells | 24679673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24679673 | 10.1016/j.bmc.2014.02.058 | RBL-2H3 | 1 |
Data from ChEMBL 36 via Core Engine