Compound Detail
CHEMBL5889903
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CCc1c2c(nn1C)[C@@H](CCN1CCOCC1)OCCCCn1c(C(=O)O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c31
Basic Information
| ChEMBL ID | CHEMBL5889903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQXSLNDYCDRXAC-MGBGTMOVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
703.3
MW (Da)
7.83
ALogP
8
HBA
1
HBD
91.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.43 | 8.935 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.37 | nM | 9.43 | Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dos... | - |
| Unchecked | IC50 | = | 3.6 | nM | 8.44 | Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dos... | - |
Data from ChEMBL 36 via Core Engine