Compound Detail
CHEMBL4443974
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O=C(O)C1CC23C(Cl)C(Cl)=C(Cl)C(Cl)C2(CC1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl
Basic Information
| ChEMBL ID | CHEMBL4443974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADUXZDNWGRINDQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
641.1
MW (Da)
6.67
ALogP
6
HBA
4
HBD
128.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 CHEMBL3883319 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 | IC50 | = | 250.0 | nM | 6.6 | Inhibition of G-protein beta1gamma2 (unknown origin) by flow cytometry | 31841625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31841625 | 10.1021/acs.jmedchem.9b01452 | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine