Compound Detail
CHEMBL3213819
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CN(C)c1ccc(/C=N/NC(=O)c2cccc(C(=O)N/N=C/c3ccc(N(C)C)cc3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL3213819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWOFQWBKENNTPO-CTVDDJEBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
2.74
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.94 | 5.94 | 1145.3 | 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 | IC50 | = | 1145.29 | nM | 5.94 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
Data from ChEMBL 36 via Core Engine