Compound Detail
CHEMBL2322197
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Basic Information
| ChEMBL ID | CHEMBL2322197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGFQHCHLBHLYBO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
-0.96
ALogP
7
HBA
3
HBD
139.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NEDD8-activating enzyme E1 regulatory subunit CHEMBL2016431 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Caco-2 CHEMBL614058 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NEDD8-activating enzyme E1 regulatory subunit | IC50 | = | 800.0 | nM | 6.1 | Inhibition of NAE (unknown origin)-catalyzed NEDD8-Ubcl2 intermediate formation ... | 23360215 |
| Caco-2 | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human Caco2 cells by MTT assay | 23360215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23360215 | 10.1021/jm301420b | Caco-2 | 1 |
| 23360215 | 10.1021/jm301420b | NEDD8-activating enzyme E1 regulatory subunit | 1 |
Data from ChEMBL 36 via Core Engine