Compound Detail
CHEMBL4637614
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Basic Information
| ChEMBL ID | CHEMBL4637614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMKPMBIEDVFFMM-XGQHYKRYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.45
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B-cell line CHEMBL614724 | IC50 | 4.73 | 4.73 | 18500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B-cell line | IC50 | = | 18500.0 | nM | 4.73 | Immunosuppressive activity in BALB/c mouse B cells assessed as reduction in LPS-... | 32323537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32323537 | 10.1021/acs.jnatprod.9b01167 | T-cell | 1 |
| 32323537 | 10.1021/acs.jnatprod.9b01167 | B-cell line | 1 |
| 32323537 | 10.1021/acs.jnatprod.9b01167 | A549 | 1 |
| 32323537 | 10.1021/acs.jnatprod.9b01167 | 769-P | 1 |
| 32323537 | 10.1021/acs.jnatprod.9b01167 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine