Compound Detail
CHEMBL4445544
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Basic Information
| ChEMBL ID | CHEMBL4445544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHUMOPHHIOSSLV-LSFURLLWSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
386.8
MW (Da)
4.08
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Anoctamin-1 CHEMBL2046267 | IC50 | 7.68 | 7.6733 | 21.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.733 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Anoctamin-1 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of YFP-fused ANO1 (unknown origin) expressed in FRT cells after 20 mi... | 30347323 |
| Anoctamin-1 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of ANO1 Over ANO2: The method for inhibiting the expression of ANO1 (... | - |
| Anoctamin-1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of ANO1 (unknown origin) expressed in FRT cells assessed as reduction... | 30347323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30347323 | 10.1016/j.ejmech.2018.10.002 | Anoctamin-1 | 3 |
| 30347323 | 10.1016/j.ejmech.2018.10.002 | Anoctamin-2 | 3 |
| 30347323 | 10.1016/j.ejmech.2018.10.002 | Unchecked | 2 |
| 30347323 | 10.1016/j.ejmech.2018.10.002 | PC-3 | 2 |
| 30347323 | 10.1016/j.ejmech.2018.10.002 | Cystic fibrosis transmembrane conductance regulator | 1 |
| 30347323 | 10.1016/j.ejmech.2018.10.002 | ADMET | 1 |
| 30347323 | 10.1016/j.ejmech.2018.10.002 | BXPC-3 | 1 |
| 30347323 | 10.1016/j.ejmech.2018.10.002 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine