Compound Detail
CHEMBL1378413
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COC(=O)[C@@]1(C#N)[C@@H]2C=CC(C(C)=O)=CN2[C@@H](C(N)=O)[C@@H]1c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL1378413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHDLKCMFSBPBOH-LJCCNALRSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
1.17
ALogP
6
HBA
1
HBD
113.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.34
IC50 2 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.34 | 5.34 | 4601.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.94 | 4.94 | 11364.0 | 1 |
| Female germline-specific tumor suppressor gld-1 CHEMBL1293302 | IC50 | 4.82 | 4.82 | 15060.0 | 1 |
| Protein Rev CHEMBL1293282 | IC50 | 4.74 | 4.74 | 18291.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-binding protein pos-1 | EC50 | = | 4601.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Zinc finger protein mex-5 | EC50 | = | 11364.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Female germline-specific tumor suppressor gld-1 | IC50 | = | 15060.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Protein Rev | IC50 | = | 18291.0 | nM | 4.74 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarizati... | - |
Data from ChEMBL 36 via Core Engine