Compound Detail
CHEMBL3659984
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[C-]#[N+]C(C)(C)c1ccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3659984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWANDSBRGRLBGY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
5.93
ALogP
2
HBA
2
HBD
61.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 5.29 | 4.76 | 5170.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 5170.0 | nM | 5.29 | Binding Assay: The secondary assay was a time resolved-FRET LanthaScreen Kinase ... | - |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 58500.0 | nM | 4.23 | Activity Assay: The primary assay for compound inhibitory activity was the ATP d... | - |
Data from ChEMBL 36 via Core Engine