Compound Detail
CHEMBL274921
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Basic Information
| ChEMBL ID | CHEMBL274921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZPGINJWPPHRLS-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
210.2
MW (Da)
1.95
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.3
EC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Female germline-specific tumor suppressor gld-1 CHEMBL1293302 | IC50 | 5.3 | 5.3 | 4974.0 | 1 |
| Protein Rev CHEMBL1293282 | IC50 | 5.02 | 5.02 | 9529.0 | 1 |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 CHEMBL2097170 | IC50 | 5.01 | 5.01 | 9860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 3500.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Confirmation dose response of additional hit compounds from hi... | - |
| Female germline-specific tumor suppressor gld-1 | IC50 | = | 4974.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Protein Rev | IC50 | = | 9529.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarizati... | - |
| Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 | IC50 | = | 9860.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Homogeneous Time-Resolved Fluorescence Resonance Energy Transf... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10866369 | 10.1016/s0960-894x(00)00217-1 | Huh-7 | 2 |
| 25497130 | 10.1016/j.ejmech.2013.12.007 | Unchecked | 2 |
| 10866369 | 10.1016/s0960-894x(00)00217-1 | NON-PROTEIN TARGET | 1 |
| 25497130 | 10.1016/j.ejmech.2013.12.007 | NON-PROTEIN TARGET | 1 |
| 25497130 | 10.1016/j.ejmech.2013.12.007 | A549 | 1 |
Data from ChEMBL 36 via Core Engine