Compound Detail
CHEMBL310302
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Basic Information
| ChEMBL ID | CHEMBL310302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBLPRUQULMKWSJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.4
MW (Da)
1.36
ALogP
11
HBA
2
HBD
144.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 10000.0 | nM | 5.0 | In vitro concentration required to inhibit the HIV-1 LA1 replication on PBMCs ce... | 12852943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852943 | 10.1016/s0960-894x(03)00496-7 | MT4 | 2 |
| 12852943 | 10.1016/s0960-894x(03)00496-7 | Unchecked | 2 |
| 12852943 | 10.1016/s0960-894x(03)00496-7 | ADMET | 2 |
| 12852943 | 10.1016/s0960-894x(03)00496-7 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine