Compound Detail
CHEMBL1986342
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Basic Information
| ChEMBL ID | CHEMBL1986342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEEIVTDTCNXCLB-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
0.47
ALogP
6
HBA
4
HBD
115.1
PSA (Ų)
0.29
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.07
EC50 2 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.07 | 5.124 | 85.0 | 5 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 6.05 | 6.05 | 899.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.97 | 5.97 | 1066.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 84.96 | nM | 7.07 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Unchecked | IC50 | = | 742.11 | nM | 6.13 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Zinc finger protein mex-5 | EC50 | = | 899.0 | nM | 6.05 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 1066.0 | nM | 5.97 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Unchecked | IC50 | = | 69380.0 | nM | 4.16 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 73170.0 | nM | 4.14 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 76770.0 | nM | 4.12 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
Data from ChEMBL 36 via Core Engine