Compound Detail
CHEMBL4087607
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NC(=O)c1cc(-c2ccc3ncnc(Nc4cccc(C(=O)N5CCOCC5)c4)c3c2)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL4087607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGHQNCAWUCGSRX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
521.5
MW (Da)
4.63
ALogP
6
HBA
2
HBD
110.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Raji CHEMBL614628 | IC50 | 9.02 | 9.02 | 0.9 | 1 |
| Ramos CHEMBL614629 | IC50 | 8.97 | 8.97 | 1.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 8.01 | 8.01 | 9.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Raji | IC50 | = | 0.95 | nM | 9.02 | Antiproliferative activity against human Raji cells after 72 hrs by MTT assay | 28325601 |
| Ramos | IC50 | = | 1.06 | nM | 8.97 | Antiproliferative activity against human Ramos cells after 72 hrs by MTT assay | 28325601 |
| Unchecked | IC50 | = | 1.1 | nM | 8.96 | Antiproliferative activity against human RPMI8266 cells after 72 hrs by MTT assa... | 28325601 |
| PI3-kinase p110-delta/p85-alpha | IC50 | = | 9.7 | nM | 8.01 | Inhibition of PI3K p110delta/p85alpha (unknown origin) using lipid substrate aft... | 28325601 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28325601 | 10.1016/j.bmcl.2017.03.020 | PI3-kinase p110-delta/p85-alpha | 2 |
| 28325601 | 10.1016/j.bmcl.2017.03.020 | Unchecked | 1 |
| 28325601 | 10.1016/j.bmcl.2017.03.020 | Ramos | 1 |
| 28325601 | 10.1016/j.bmcl.2017.03.020 | Raji | 1 |
Data from ChEMBL 36 via Core Engine