Compound Detail
CHEMBL4444148
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Nc1cc(C(F)(F)F)c(-c2cc(N3C[C@@H]4OCCO[C@@H]4C3)nc(N3CCOCC3)n2)cn1
Basic Information
| ChEMBL ID | CHEMBL4444148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMEVGUSSLFSAAA-IYBDPMFKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
1.58
ALogP
9
HBA
1
HBD
98.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.05 | 6.05 | 896.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 896.0 | nM | 6.05 | Inhibition of PI3K p110alpha/p85 (unknown origin) using PIP2/ATP as substrate af... | 27427973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27427973 | 10.1021/acs.jmedchem.6b00235 | U-937 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | HeLa | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | PANC-1 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | A549 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | A-431 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | HT-1080 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | BGC-823 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | SGC-7901 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | NCI-N87 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | Unchecked | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | DU-145 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | SK-BR-3 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | MCF7 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | Huh-7 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | Bel-7402 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | MOLT-4 | 1 |
| 27427973 | 10.1021/acs.jmedchem.6b00235 | K562 | 1 |
Data from ChEMBL 36 via Core Engine