Compound Detail
CHEMBL1438240
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Basic Information
| ChEMBL ID | CHEMBL1438240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIFAGEDURJEQIZ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
360.9
MW (Da)
4.96
ALogP
4
HBA
1
HBD
33.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.57
EC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.57 | 5.57 | 2690.3 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.41 | 4.915 | 3927.9 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.3 | 5.3 | 4982.0 | 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 | = | 2690.26 | nM | 5.57 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 3927.9 | nM | 5.41 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Unchecked | EC50 | = | 4982.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 37694.0 | nM | 4.42 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
Data from ChEMBL 36 via Core Engine