Compound Detail
CHEMBL603180
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 | CHEMBL603180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUWWLIOFNXNKQR-VTHZCTBJSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
377.1
MW (Da)
-0.54
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
Ki 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L5178Y CHEMBL614720 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Phosphatidylinositol 4-kinase, PI4K CHEMBL2096619 | Ki | 4.8 | 4.8 | 15900.0 | 1 |
| Phosphatidylinositol 4-kinase, PI4K CHEMBL2096619 | IC50 | 4.64 | 4.64 | 23100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L5178Y | IC50 | = | 2000.0 | nM | 5.7 | Compound was evaluated for its ability to inhibit growth by 50% at 48 hr in L517... | 2496231 |
| Phosphatidylinositol 4-kinase, PI4K | Ki | = | 15900.0 | nM | 4.8 | Binding affinity (Ki) against human phosphatidylinositol 4-kinase | 2165159 |
| Phosphatidylinositol 4-kinase, PI4K | IC50 | = | 23100.0 | nM | 4.64 | Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the AT... | 2165159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2165159 | 10.1021/jm00170a005 | Phosphatidylinositol 4-kinase, PI4K | 2 |
| 2496231 | 10.1021/jm00125a012 | L1210 | 1 |
| 2496231 | 10.1021/jm00125a012 | L5178Y | 1 |
Data from ChEMBL 36 via Core Engine