Compound Detail
CHEMBL3919776
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCOc1ccc(C[C@H](NC(=O)[C@@H]2C[C@H](Oc3ccc(-c4ccc(Cl)cc4)cc3)CN2C(=O)OC(C)(C)C)C(=O)NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3919776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUEBKJYQBBKULS-HZRHVEIDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
883.9
MW (Da)
8.52
ALogP
10
HBA
2
HBD
183.5
PSA (Ų)
0.06
QED
2
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | Ki | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | Ki | = | 430.0 | nM | 6.37 | Inhibition of 5-FAM-QEDIIRNIARHLAQVGDSMDRSIPPG binding to Mcl-1 (unknown origin)... | 27810438 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27810438 | 10.1016/j.bmc.2016.10.020 | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
Data from ChEMBL 36 via Core Engine