Compound Detail
CHEMBL4065928
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CNC1CCN(C(=O)c2ccc(NC(=O)Nc3ccc(-c4nc(N5CCOCC5)nc(N5CCOCC5)n4)cc3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL4065928 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PHCXCLUQKBHQJU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
601.7
MW (Da)
2.68
ALogP
10
HBA
3
HBD
137.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 8.8 | 8.8 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3-kinase p110-alpha/p85-alpha | IC50 | = | 0.4 | nM | 9.4 | Competitive inhibition of human PI3K p110alpha/p85alpha using PIP2 as substrate ... | 28571824 |
| Serine/threonine-protein kinase mTOR | IC50 | = | 1.6 | nM | 8.8 | Competitive inhibition of human mTOR using 4EBP1 as substrate in presence of [33... | 28571824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28571824 | 10.1016/j.bmcl.2017.05.044 | PI3-kinase p110-alpha/p85-alpha | 1 |
| 28571824 | 10.1016/j.bmcl.2017.05.044 | Serine/threonine-protein kinase mTOR | 1 |
Data from ChEMBL 36 via Core Engine