Compound Detail
CHEMBL187876
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL187876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWPFOPYVFRHXRY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
6.32
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB 3-1 CHEMBL614590 | EC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB 3-1 | EC50 | = | 70000.0 | nM | 4.16 | 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