Compound Detail
CHEMBL4168211
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Oc1ccc([C@H]2Oc3cc(O)cc([C@@H]4[C@H](c5cc(O)cc(O)c5)[C@@H](c5ccc(O)cc5)O[C@@H]4c4ccc(O)cc4)c3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)c(O)c2)O3)cc1
Basic Information
| ChEMBL ID | CHEMBL4168211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSSAVFBQUCMWFS-RCTYIOJVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
941.0
MW (Da)
10.36
ALogP
14
HBA
11
HBD
250.2
PSA (Ų)
0.06
QED
4
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.6 | 4.6 | 25300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 25300.0 | nM | 4.6 | Inhibition of bovine liver arginase assessed as reduction in urea production usi... | 28837342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28837342 | 10.1021/acs.jnatprod.7b00197 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine