Compound Detail
CHEMBL4644181
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Basic Information
| ChEMBL ID | CHEMBL4644181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXWXUMLKMCIBDU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
7
PK Parameters
4
Publications
0
Known Names
Molecular Properties
319.3
MW (Da)
4.20
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Utrophin CHEMBL4523230 | EC50 | 5.91 | 5.91 | 1230.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 24.1 | mL.min-1.g-1 | Mus musculus |
| CL | 4.43 | mL.min-1.g-1 | Homo sapiens |
| CL | 1.0 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 8.74 | mL.min-1.g-1 | Rattus norvegicus |
| T1/2 | 0.96 | hr | Mus musculus |
| T1/2 | 5.217 | hr | Homo sapiens |
| T1/2 | 2.65 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Utrophin | EC50 | = | 1230.0 | nM | 5.91 | Modulation of human utrophinA expressed in mouse H2K cells assessed as upregulat... | 32551645 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32551645 | 10.1021/acs.jmedchem.0c00807 | ADMET | 11 |
| 32551645 | 10.1021/acs.jmedchem.0c00807 | Unchecked | 2 |
| 32551645 | 10.1021/acs.jmedchem.0c00807 | Utrophin | 1 |
| 32551645 | 10.1021/acs.jmedchem.0c00807 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine