Compound Detail
CHEMBL3781916
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Basic Information
| ChEMBL ID | CHEMBL3781916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRAHNTZNUUEGAH-HDJSIYSDSA-N |
5
Targets
5
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
2.64
ALogP
7
HBA
3
HBD
95.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Phosphatidylinositol 4-kinase beta CHEMBL3268 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 82.6 | mL.min-1.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of recombinant human VPS34 using L-alpha-phosphatidylinositol as subs... | 26819669 |
| Phosphatidylinositol 4-kinase beta | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of PI4Kbeta (unknown origin) | 26819669 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of PI3Kalpha (unknown origin) | 26819669 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of PI3Kdelta (unknown origin) | 26819669 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 8500.0 | nM | 5.07 | Inhibition of PI3Kgamma (unknown origin) | 26819669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26819669 | 10.1021/acsmedchemlett.5b00335 | ADMET | 1 |
| 26819669 | 10.1021/acsmedchemlett.5b00335 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
| 26819669 | 10.1021/acsmedchemlett.5b00335 | Phosphatidylinositol 4-kinase beta | 1 |
| 26819669 | 10.1021/acsmedchemlett.5b00335 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 26819669 | 10.1021/acsmedchemlett.5b00335 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 26819669 | 10.1021/acsmedchemlett.5b00335 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 26819669 | 10.1021/acsmedchemlett.5b00335 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine