Compound Detail
CHEMBL1391256
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Basic Information
| ChEMBL ID | CHEMBL1391256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBYFNXHXLBSRSE-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
5.11
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.68
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.5 | 5.5 | 3200.9 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.22 | 5.22 | 5950.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 5.18 | 5.18 | 6620.0 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 5.12 | 5.12 | 7529.5 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 4.93 | 4.93 | 11800.0 | 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 | = | 3200.86 | nM | 5.5 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 5950.0 | nM | 5.22 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 6620.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 7529.5 | nM | 5.12 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
| Ephrin type-A receptor 4 | IC50 | = | 11800.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Colorimetric assay for HTS discovery of chemical inhibitors of... | - |
Data from ChEMBL 36 via Core Engine