Compound Detail
CHEMBL600377
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Basic Information
| ChEMBL ID | CHEMBL600377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNGWNJJPMIOKRO-LLVKDONJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
347.3
MW (Da)
0.70
ALogP
6
HBA
3
HBD
143.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 20100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20100.0 | nM | 4.7 | Inhibition of JMJD2E by FDH coupled assay | 20088513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20088513 | 10.1021/jm901680b | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine