Compound Detail
CHEMBL3917427
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C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C(=O)[C@H](N)C2CC2)C1
Basic Information
| ChEMBL ID | CHEMBL3917427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFPLPXINZUQEEC-KOSHJBKYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
479.6
MW (Da)
0.44
ALogP
10
HBA
2
HBD
139.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 10.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | Ki | 10.72 | 10.72 | 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 | = | 0.019 | nM | 10.72 | Biochemical Assay: PI3KA_Act: Genes encoding for full length p110alpha and p85al... | - |
Data from ChEMBL 36 via Core Engine