Compound Detail
CHEMBL3193435
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Basic Information
| ChEMBL ID | CHEMBL3193435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPRJJAFUALVABT-VULFUBBASA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.87
ALogP
5
HBA
3
HBD
91.2
PSA (Ų)
0.29
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.36 | 5.2467 | 4410.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 4410.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose response counterscreen of small molecule activators of th... | - |
| Unchecked | EC50 | = | 4950.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | EC50 | = | 8240.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine