Compound Detail
CHEMBL1439414
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O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1
Basic Information
| ChEMBL ID | CHEMBL1439414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URAZTGNIHXNUKK-PTNGSMBKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.9
MW (Da)
4.63
ALogP
6
HBA
2
HBD
108.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.06 | 5.06 | 8640.0 | 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 | IC50 | = | 8640.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
Data from ChEMBL 36 via Core Engine