Compound Detail
CHEMBL1794991
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Basic Information
| ChEMBL ID | CHEMBL1794991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLDDWASOIZUNBF-VAMDACQBSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
316.1
MW (Da)
0.76
ALogP
5
HBA
1
HBD
99.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rauscher murine leukemia virus CHEMBL613748 | IC50 | 4.79 | 4.79 | 16100.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.008 | hr | - |
| T1/2 | 0.2383 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rauscher murine leukemia virus | IC50 | = | 16100.0 | nM | 4.79 | Concentration of compound required to inhibit 50% of viral replication of Rausch... | 2754712 |
| CCRF-CEM | IC50 | = | 28000.0 | nM | 4.55 | Concentration of compound required to inhibit 50% of viral replication of human ... | 2754712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2754712 | 10.1021/jm00128a034 | CCRF-CEM | 2 |
| 2754712 | 10.1021/jm00128a034 | Rauscher murine leukemia virus | 2 |
| 2754712 | 10.1021/jm00128a034 | ADMET | 2 |
| 2754712 | 10.1021/jm00128a034 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine