Compound Detail
CHEMBL1310138
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Basic Information
| ChEMBL ID | CHEMBL1310138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSAISLSAHDZRIP-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
1.65
ALogP
6
HBA
3
HBD
54.5
PSA (Ų)
0.30
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.32
IC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.5 | 3158.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.32 | 5.32 | 4782.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.29 | 5.29 | 5148.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 5.03 | 5.03 | 9280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3158.0 | nM | 5.5 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| Zinc finger protein mex-5 | EC50 | = | 4782.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 5148.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| No relevant target | IC50 | = | 9280.0 | nM | 5.03 | PubChem BioAssay. Counterscreen for molecules that bind rCAG RNA repeats: fluore... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21459001 | 10.1016/j.bmc.2011.03.012 | Unchecked | 1 |
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine