Compound Detail
CHEMBL3194876
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Basic Information
| ChEMBL ID | CHEMBL3194876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPVIHYSWSXQXDE-GIDUJCDVSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
304.3
MW (Da)
1.52
ALogP
6
HBA
5
HBD
110.0
PSA (Ų)
0.25
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.09
EC50 2 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 7.07 | 7.07 | 86.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.09 | 5.5367 | 804.0 | 3 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.71 | 4.71 | 19462.1 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.15 | 4.15 | 71360.0 | 1 |
| Bifunctional protein GlmU CHEMBL1293297 | IC50 | 4.08 | 4.08 | 82970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein mex-5 | EC50 | = | 86.0 | nM | 7.07 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Unchecked | IC50 | = | 803.96 | nM | 6.09 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 2223.0 | nM | 5.65 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Unchecked | IC50 | = | 13476.0 | nM | 4.87 | PubChem BioAssay. Fluorescence-based biochemical primary high throughput dose re... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 19462.14 | nM | 4.71 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| RNA-binding protein pos-1 | EC50 | = | 71360.0 | nM | 4.15 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Bifunctional protein GlmU | IC50 | = | 82970.0 | nM | 4.08 | PUBCHEM_BIOASSAY: Inhibitors of Mycobacterial Glucosamine-1-phosphate acetyl tra... | - |
Data from ChEMBL 36 via Core Engine