Compound Detail
CHEMBL448270
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 | CHEMBL448270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFGRPNIAGKTMCH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
276.5
MW (Da)
6.25
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 CHEMBL5566 | IC50 | 4.24 | 4.15 | 57850.0 | 2 |
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 | = | 57850.0 | nM | 4.24 | Inhibition of bovine brain PI-PLCgamma1 | 9677265 |
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | IC50 | = | 87950.0 | nM | 4.06 | 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 | HT1197 | 1 |
| 9677265 | 10.1021/np970367q | A549 | 1 |
| 9677265 | 10.1021/np970367q | HCT-15 | 1 |
| 9677265 | 10.1021/np970367q | ADMET | 1 |
| 9677265 | 10.1021/np970367q | SK-OV-3 | 1 |
| 27008174 | 10.1021/acs.jnatprod.5b00915 | Bcl-xL/BAK | 1 |
| 27008174 | 10.1021/acs.jnatprod.5b00915 | Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist | 1 |
Data from ChEMBL 36 via Core Engine