Compound Detail
CHEMBL174914
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Basic Information
| ChEMBL ID | CHEMBL174914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYXJGOBMPHVDKF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
-0.60
ALogP
7
HBA
1
HBD
93.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | EC50 | 6.46 | 6.46 | 343.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 343.0 | nM | 6.46 | Effective concentration of compound achieving 50% protection in CEM cell lines a... | 14980640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980640 | 10.1016/j.bmcl.2004.01.007 | CCRF-CEM | 2 |
| 14980640 | 10.1016/j.bmcl.2004.01.007 | Unchecked | 1 |
| 14980640 | 10.1016/j.bmcl.2004.01.007 | Mycobacterium tuberculosis | 1 |
| 14980640 | 10.1016/j.bmcl.2004.01.007 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine