Compound Detail
CHEMBL1536682
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CCOC(=O)[C@]1(C#N)[C@@H]2C=CC(C(C)=O)=CN2[C@@H](C(N)=O)[C@@H]1c1ccsc1
Basic Information
| ChEMBL ID | CHEMBL1536682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJXIZLBMJFLASA-YIOZNXECSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
385.4
MW (Da)
1.49
ALogP
7
HBA
1
HBD
113.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.6 | 5.6 | 2498.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.91 | 4.91 | 12322.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-binding protein pos-1 | EC50 | = | 2498.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Zinc finger protein mex-5 | EC50 | = | 12322.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine