Compound Detail
CHEMBL1998294
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Basic Information
| ChEMBL ID | CHEMBL1998294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRRHCSORRWMLAV-BYNJWEBRSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
3.52
ALogP
7
HBA
0
HBD
105.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Runt-related transcription factor 1/Core-binding factor subunit beta CHEMBL2093862 | IC50 | 6.37 | 5.775 | 429.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.35 | 5.35 | 4475.3 | 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 | = | 429.0 | nM | 6.37 | PUBCHEM_BIOASSAY: uHTS identification of compounds inhibiting the binding betwee... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 4475.28 | nM | 5.35 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Runt-related transcription factor 1/Core-binding factor subunit beta | IC50 | = | 6540.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Identification of compounds inhibiting the binding between the... | - |
Data from ChEMBL 36 via Core Engine