Compound Detail
CHEMBL462880
ISOBOLDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL462880 |
| Name | ISOBOLDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LINHZVMHXABQLB-ZDUSSCGKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
2.87
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil CHEMBL5314326 | IC50 | 5.24 | 5.24 | 5810.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| B-cell CHEMBL614701 | IC50 | 4.53 | 4.53 | 29600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil | IC50 | = | 5810.0 | nM | 5.24 | Antiinflammatory activity in human neutrophils assessed as inhibition of fMLF/cy... | 32359855 |
| T-cell | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of ConA-induced BALB/c mouse T cell proliferation | 17081761 |
| B-cell | IC50 | = | 29600.0 | nM | 4.53 | Inhibition of LPS-induced BALB/c mouse B cell proliferation | 17081761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17081761 | 10.1016/j.bmc.2006.10.034 | T-cell | 2 |
| 8786363 | 10.1021/np960195h | Plasmodium falciparum | 2 |
| 32359855 | 10.1016/j.bmcl.2020.127224 | Neutrophil | 2 |
| 17081761 | 10.1016/j.bmc.2006.10.034 | ADMET | 1 |
| 17081761 | 10.1016/j.bmc.2006.10.034 | B-cell | 1 |
| 17081761 | 10.1016/j.bmc.2006.10.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine