Compound Detail
CHEMBL446952
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CC[C@H](C)[C@H]1NC(=O)[C@@H]([C@H](O)C(C)C)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H](C)N(C)C1=O
Basic Information
| ChEMBL ID | CHEMBL446952 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OKDOHKMQMYDEBB-LCWWRPGSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
695.9
MW (Da)
-0.05
ALogP
8
HBA
4
HBD
188.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3T3-L1 CHEMBL614510 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3T3-L1 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of fat accumulation in mouse 3T3L1 cells assessed as liberated trigly... | 18798610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18798610 | 10.1021/jm800741n | 3T3-L1 | 2 |
Data from ChEMBL 36 via Core Engine