Compound Detail
CHEMBL1566415
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Basic Information
| ChEMBL ID | CHEMBL1566415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXBPADLROQPABQ-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
4.34
ALogP
7
HBA
1
HBD
66.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.87 | 5.5433 | 1354.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1354.0 | nM | 5.87 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 2810.0 | nM | 5.55 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits that enhance the survi... | - |
| Unchecked | EC50 | = | 6183.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
Data from ChEMBL 36 via Core Engine