Compound Detail
CHEMBL470127
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 | CHEMBL470127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIEZSEGUHJMPKG-FPLPWBNLSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
330.6
MW (Da)
7.58
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 CHEMBL5566 | IC50 | 5.01 | 4.515 | 9730.0 | 2 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.88 | 4.88 | 13114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | IC50 | = | 9730.0 | nM | 5.01 | Inhibition of bovine brain PI-PLCgamma1 | 9677265 |
| Acetylcholinesterase | IC50 | = | 13114.0 | nM | 4.88 | Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide a... | 21641207 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | IC50 | = | 95020.0 | nM | 4.02 | Inhibition of bovine brain PI-PLCgamma1 at 125 ug/mL | 9677265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9677265 | 10.1021/np970367q | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | 2 |
| 9677265 | 10.1021/np970367q | MCF7 | 1 |
| 9677265 | 10.1021/np970367q | A549 | 1 |
| 9677265 | 10.1021/np970367q | HT1197 | 1 |
| 9677265 | 10.1021/np970367q | HCT-15 | 1 |
| 9677265 | 10.1021/np970367q | ADMET | 1 |
| 9677265 | 10.1021/np970367q | SK-OV-3 | 1 |
| 21641207 | 10.1016/j.bmcl.2011.04.065 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine