Compound Detail
CHEMBL4303323
ACALISIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL4303323 |
| Name | ACALISIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | DOCINCLJNAXZQF-LBPRGKRZSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
5
Known Names
1
Indications
1
Mechanisms
Molecular Properties
401.4
MW (Da)
3.36
ALogP
7
HBA
2
HBD
101.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| PI3-kinase p110-delta subunit inhibitor | INHIBITOR | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | ✓ | ✓ |
Indications
Hematologic Neoplasms
Activity Summary
IC50 5 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 7.9 | 7.9 | 12.7 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.52 | 5.52 | 3000.0 | 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 | IC50 | = | 12.7 | nM | 7.9 | Inhibition of PI3Kdelta (unknown origin) | 31581005 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 12.7 | nM | 7.9 | Inhibition of PI3K-delta (unknown origin) | 32755681 |
| Unchecked | IC50 | = | 19.0 | nM | 7.72 | Cytotoxicity against human basophil cells after 24 hrs by MTT assay | 30582813 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of Vps34 (unknown origin) | 30582813 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of GST-tagged PI3Kgamma (unknown origin) using PIP2 as substrate prei... | 30582813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30582813 | 10.1021/acs.jmedchem.8b01298 | Unchecked | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 30582813 | 10.1021/acs.jmedchem.8b01298 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
| 30582813 | 10.1021/acs.jmedchem.8b01298 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 31581005 | 10.1016/j.ejmech.2019.111718 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 32755681 | 10.1016/j.bmcl.2020.127457 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine