Compound Detail
CHEMBL3912038
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Nc1ncc(-c2cc3ccccc3c(N3CCOCC3)n2)nc1C(=O)Nc1ncccc1N1CCC(N)(CO)CC1
Basic Information
| ChEMBL ID | CHEMBL3912038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDJHHHAMGANBEP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
555.6
MW (Da)
2.05
ALogP
11
HBA
4
HBD
168.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL299 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
| Protein kinase C theta type CHEMBL3920 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 0.25 | nM | 9.6 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
| Protein kinase C theta type | IC50 | = | 3.1 | nM | 8.51 | In Vitro Inhibition Activity Assay: The compounds of formula I were tested for t... | - |
Data from ChEMBL 36 via Core Engine