Compound Detail
CHEMBL1360981
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Basic Information
| ChEMBL ID | CHEMBL1360981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWQOUSHKYPZGHQ-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
3.01
ALogP
7
HBA
2
HBD
105.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.32
EC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Runt-related transcription factor 1/Core-binding factor subunit beta CHEMBL2093862 | IC50 | 6.32 | 5.57 | 475.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.5 | 5.5 | 3141.5 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.37 | 4.37 | 42590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Runt-related transcription factor 1/Core-binding factor subunit beta | IC50 | = | 475.0 | nM | 6.32 | PUBCHEM_BIOASSAY: uHTS identification of compounds inhibiting the binding betwee... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3141.54 | nM | 5.5 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Runt-related transcription factor 1/Core-binding factor subunit beta | IC50 | = | 15300.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Identification of compounds inhibiting the binding between the... | - |
| Unchecked | EC50 | = | 42590.0 | nM | 4.37 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
Data from ChEMBL 36 via Core Engine