Compound Detail
CHEMBL3644749
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O=C(NCC#Cc1ccc2ncc3ncn(C4CCOC4)c3c2c1)c1cccn([C@@H](CO)c2cccc(F)c2)c1=O
Basic Information
| ChEMBL ID | CHEMBL3644749 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAUIWQDFAKOZPL-WOKNPCPGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
551.6
MW (Da)
3.21
ALogP
8
HBA
2
HBD
111.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 7.0 | nM | 8.15 | Kinase Assay: Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal... | - |
Data from ChEMBL 36 via Core Engine