Compound Detail
CHEMBL1987928
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Basic Information
| ChEMBL ID | CHEMBL1987928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATNOETPPUJCYBV-QDEBKDIKSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
1.00
ALogP
7
HBA
3
HBD
93.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.93
EC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 6.17 | 6.17 | 668.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.93 | 5.93 | 1174.7 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.38 | 5.38 | 4150.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.29 | 5.29 | 5165.0 | 1 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 5.11 | 5.11 | 7790.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | IC50 | 4.23 | 4.23 | 58500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein mex-5 | EC50 | = | 668.0 | nM | 6.17 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 1174.7 | nM | 5.93 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 4150.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| RNA-binding protein pos-1 | EC50 | = | 5165.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Bifunctional protein GlmU | IC50 | = | 7790.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra... | - |
| Alkaline phosphatase, tissue-nonspecific isozyme | IC50 | = | 58500.0 | nM | 4.23 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intesti... | - |
Data from ChEMBL 36 via Core Engine