Compound Detail
CHEMBL4745875
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Basic Information
| ChEMBL ID | CHEMBL4745875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTQWGMHZHQTDOO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.83
ALogP
5
HBA
2
HBD
80.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 4.3 | 4.245 | 50300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 50300.0 | nM | 4.3 | Binding affinity to HIV1 25-2AP TAR by 2-AP based fluorescence assay | 28002966 |
| Unchecked | Kd | = | 64300.0 | nM | 4.19 | Binding affinity to HIV1 23-2AP TAR by 2-AP based fluorescence assay | 28002966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28002966 | 10.1021/acs.jmedchem.6b01450 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine