Compound Detail
CHEMBL1454008
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Basic Information
| ChEMBL ID | CHEMBL1454008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGDVAISUVHEJPB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
4.63
ALogP
6
HBA
0
HBD
45.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.85 | 5.7567 | 140.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 140.0 | nM | 6.85 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 606.0 | nM | 6.22 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Confirmation at Dose of ... | - |
| Unchecked | EC50 | = | 63838.0 | nM | 4.2 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary HTS screen to identify cytot... | - |
Data from ChEMBL 36 via Core Engine