Compound Detail
CHEMBL1981677
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Basic Information
| ChEMBL ID | CHEMBL1981677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFVGONWLNGCEGV-OPEKNORGSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
453.9
MW (Da)
5.58
ALogP
6
HBA
0
HBD
56.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.21 | 4.8025 | 6110.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 6110.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Dose response counterscreen of small molecule activators of th... | - |
| Unchecked | EC50 | = | 10300.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 30100.0 | nM | 4.52 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 32700.0 | nM | 4.49 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
Data from ChEMBL 36 via Core Engine