Compound Detail
CHEMBL3197557
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Basic Information
| ChEMBL ID | CHEMBL3197557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCOTVJNEFSXBSH-CAOOACKPSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
1.70
ALogP
7
HBA
3
HBD
107.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.89
EC50 2 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 6.71 | 6.71 | 193.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.89 | 5.75 | 1288.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.68 | 5.68 | 2067.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.89 | 4.89 | 12886.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zinc finger protein mex-5 | EC50 | = | 193.0 | nM | 6.71 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Unchecked | IC50 | = | 1288.0 | nM | 5.89 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 2067.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Unchecked | IC50 | = | 2450.0 | nM | 5.61 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| RNA-binding protein pos-1 | EC50 | = | 12886.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine