Compound Detail
CHEMBL5847613
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Nc1ncc(-c2nc(N3CCOCC3)nc(N[C@@]3(CO)CCN(C(=O)C4(F)CC4)C3)c2F)cn1
Basic Information
| ChEMBL ID | CHEMBL5847613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIDOSBIJMNIHPF-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
0.37
ALogP
10
HBA
3
HBD
142.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | Ki | 10.7 | 10.7 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3-kinase p110-alpha/p85-alpha | Ki | = | 0.02 | nM | 10.7 | Biochemical Assay: The biochemical assays of kinase activity of full-length PI3K... | - |
Data from ChEMBL 36 via Core Engine