Compound Detail
CHEMBL4440592
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Basic Information
| ChEMBL ID | CHEMBL4440592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVVBYCGUFRPWSH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
2.14
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2A13 CHEMBL3542436 | Kd | 4.54 | 4.54 | 28750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2A13 | Kd | = | 28750.0 | nM | 4.54 | Binding affinity to full length recombinant truncated non-catalytic N-terminal t... | - |
Data from ChEMBL 36 via Core Engine