Compound Detail
CHEMBL5833989
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CCc1c2c(nn1C)CCCN(CCCCO)CCn1c(C(=O)O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c31
Basic Information
| ChEMBL ID | CHEMBL5833989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTVJBMGQNBWXBH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
661.2
MW (Da)
7.28
ALogP
7
HBA
2
HBD
92.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.1 | nM | 8.68 | MCL-1/Noxa BH3 Peptide (MCL-1 Assay): The dose-dependent inhibition by the compo... | - |
Data from ChEMBL 36 via Core Engine