Compound Detail
CHEMBL1231913
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Basic Information
| ChEMBL ID | CHEMBL1231913 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVKIFCXVRCGAEE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
178.6
MW (Da)
2.73
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | Kd | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | Kd | = | 300.0 | nM | 6.52 | Binding affinity to C-terminal His4-tagged CYP2B4 dH/H226Y mutant (unknown origi... | 21502194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 2 |
| 21502194 | 10.1124/dmd.111.039719 | ADMET | 1 |
| 29547284 | 10.1021/acs.jmedchem.7b01622 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine