Compound Detail
CHEMBL2235214
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Basic Information
| ChEMBL ID | CHEMBL2235214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMHVDYKPJBEMRG-OTYYAQKOSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
4.32
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.01 | 5.895 | 980.0 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 5.21 | 5.21 | 6090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 980.0 | nM | 6.01 | Cytotoxicity against human NB4 cells assessed as reduction in cell viability aft... | 24960549 |
| NON-PROTEIN TARGET | IC50 | = | 1680.0 | nM | 5.78 | Cytotoxicity against human NB4-R1 cells assessed as reduction in cell viability ... | 24960549 |
| RAW264.7 | IC50 | = | 6090.0 | nM | 5.21 | Anti-inflammatory activity in Mus musculus (mouse) RAW264.7 cells assessed as in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-010-9521-0 | RAW264.7 | 4 |
| 24960549 | 10.1021/jm401352a | NON-PROTEIN TARGET | 2 |
| - | 10.1007/s00044-010-9521-0 | NON-PROTEIN TARGET | 1 |
| 29223100 | 10.1016/j.ejmech.2017.11.048 | Luciferin 4-monooxygenase | 1 |
Data from ChEMBL 36 via Core Engine