Compound Detail
CHEMBL188627
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Basic Information
| ChEMBL ID | CHEMBL188627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYTAXDSFXYQTHT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
4.74
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB 3-1 CHEMBL614590 | EC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB 3-1 | EC50 | = | 1400.0 | nM | 5.85 | Concentration that causes 50% of maximum vinblastine accumulation in KB/MDR cell... | 15481991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481991 | 10.1021/jm049949c | KB 3-1 | 3 |
| 15481991 | 10.1021/jm049949c | KB | 1 |
| 15481991 | 10.1021/jm049949c | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine