Compound Detail
CHEMBL1672331
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 | CHEMBL1672331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCSNDONKXWSCEI-UHFFFAOYSA-N |
5
Targets
6
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
0.35
ALogP
7
HBA
1
HBD
90.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.19
EC50 2 meas. best 6.89
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | Ki | 9.19 | 9.19 | 0.6 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| PI3K p110 beta/p85 alpha CHEMBL3038510 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | Ki | 7.09 | 7.09 | 81.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| A2780 CHEMBL614004 | EC50 | 5.3 | 5.3 | 4980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3-kinase p110-alpha/p85-alpha | Ki | = | 0.64 | nM | 9.19 | Inhibition of recombinant human full-length PI3K p110alpha/p85alpha (322 to 600)... | 33356246 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 14.0 | nM | 7.85 | Inhibition of PI3Kalpha after 15 mins | 24900252 |
| PI3K p110 beta/p85 alpha | Ki | = | 15.0 | nM | 7.82 | Inhibition of recombinant human PI3K p110beta/p85alpha using phosphatidylinosito... | 33356246 |
| PI3-kinase p110-delta/p85-alpha | Ki | = | 81.0 | nM | 7.09 | Inhibition of recombinant human PI3K p110delta/p85alpha using phosphatidylinosit... | 33356246 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | EC50 | = | 130.0 | nM | 6.89 | Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 ce... | 24900252 |
| A2780 | EC50 | = | 4980.0 | nM | 5.3 | Antiproliferative activity against human A2780 cells | 24900252 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900252 | 10.1021/ml1001932 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 2 |
| 33356246 | 10.1021/acs.jmedchem.0c01652 | No relevant target | 2 |
| 33356246 | 10.1021/acs.jmedchem.0c01652 | ADMET | 2 |
| 33356246 | 10.1021/acs.jmedchem.0c01652 | Unchecked | 2 |
| 24900252 | 10.1021/ml1001932 | A2780 | 1 |
| 33356246 | 10.1021/acs.jmedchem.0c01652 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 33356246 | 10.1021/acs.jmedchem.0c01652 | PI3K p110 beta/p85 alpha | 1 |
| 33356246 | 10.1021/acs.jmedchem.0c01652 | PI3-kinase p110-delta/p85-alpha | 1 |
Data from ChEMBL 36 via Core Engine