Compound Detail
CHEMBL2414238
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CC(C)(O)C1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1
Basic Information
| ChEMBL ID | CHEMBL2414238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNSTZGWRZZSODE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
4.05
ALogP
8
HBA
2
HBD
90.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | Ki | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Ki | = | 1.1 | nM | 8.96 | Inhibition of PI3Kdelta (unknown origin) assessed as formation of PIP3 by compet... | 23867164 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23867164 | 10.1016/j.bmcl.2013.06.052 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 23867164 | 10.1016/j.bmcl.2013.06.052 | ADMET | 1 |
| 23867164 | 10.1016/j.bmcl.2013.06.052 | CHO-K1 | 1 |
Data from ChEMBL 36 via Core Engine