Compound Detail
CHEMBL456341
LENABASUM 🧪 Phase III
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🧪 Phase III
CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)C[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL456341 |
| Name | LENABASUM |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | YCHYFHOSGQABSW-RTBURBONSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
16
Publications
9
Known Names
4
Indications
Molecular Properties
400.6
MW (Da)
6.32
ALogP
3
HBA
2
HBD
66.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Dermatomyositis Scleroderma, Diffuse Cystic Fibrosis Lupus Erythematosus, Systemic
Activity Summary
Ki 3 meas. best 8.24
EC50 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.24 | 7.865 | 5.7 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.77 | 6.77 | 170.5 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 6.03 | 6.03 | 927.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 5.7 | nM | 8.24 | Binding affinity to CB1 receptor (unknown origin) | 24731541 |
| Cannabinoid receptor 1 | Ki | = | 32.3 | nM | 7.49 | Binding affinity to human CB1 receptor | 23865723 |
| Cannabinoid receptor 2 | Ki | = | 170.5 | nM | 6.77 | Binding affinity to human CB2 receptor | 23865723 |
| Cannabinoid receptor 1 | EC50 | = | 927.0 | nM | 6.03 | Agonist activity at CB1 receptor (unknown origin) assessed as cAMP production | 23865723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24731541 | 10.1016/j.bmc.2014.03.038 | Mus musculus | 5 |
| 18951802 | 10.1016/j.bmc.2008.10.015 | NON-PROTEIN TARGET | 4 |
| 24731541 | 10.1016/j.bmc.2014.03.038 | ADMET | 4 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 4 |
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 1 | 2 |
| 24731541 | 10.1016/j.bmc.2014.03.038 | Rattus norvegicus | 2 |
| 24731541 | 10.1016/j.bmc.2014.03.038 | Unchecked | 2 |
| 24731541 | 10.1016/j.bmc.2014.03.038 | Blood | 2 |
| - | 10.6019/CHEMBL4651402 | Vero C1008 | 2 |
| 18951802 | 10.1016/j.bmc.2008.10.015 | HeLa | 1 |
| 22284817 | 10.1016/j.bmcl.2011.12.124 | Nucleic Acid | 1 |
| 23865723 | 10.1021/jm4005626 | Unchecked | 1 |
| 23865723 | 10.1021/jm4005626 | Cannabinoid receptor 2 | 1 |
| 24731541 | 10.1016/j.bmc.2014.03.038 | Cannabinoid receptor 1 | 1 |
| 24731541 | 10.1016/j.bmc.2014.03.038 | Plasma | 1 |
| 24856183 | 10.1016/j.bmc.2014.04.062 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine