Compound Detail
CHEMBL3545068
COPANLISIB HYDROCHLORIDE 💊 Approved Drug
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💊 Approved Drug
COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL3545068 |
| Name | COPANLISIB HYDROCHLORIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | STGQPVQAAFJJFX-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL3218576 |
| Active Moiety | CHEMBL3218576 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
8
Known Names
13
Indications
2
Mechanisms
Molecular Properties
480.5
MW (Da)
0.66
ALogP
11
HBA
2
HBD
139.8
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2017 |
| Availability | Discontinued |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| PI3-kinase p110-alpha subunit inhibitor | INHIBITOR | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | ✓ | ✓ |
| PI3-kinase p110-delta subunit inhibitor | INHIBITOR | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | ✓ | ✓ |
Indications
Lymphoma, Follicular Lymphoma, Follicular Lymphoma, Large B-Cell, Diffuse Multiple Myeloma Breast Neoplasms Breast Neoplasms Hodgkin Disease Lymphoma, Mantle-Cell Lymphoma, Non-Hodgkin Lymphoma, T-Cell, Cutaneous Mycosis Fungoides Neoplasms Triple Negative Breast Neoplasms
Activity Summary
IC50 4 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 8.19 | 8.19 | 6.4 | 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 alpha isoform | IC50 | = | 0.5 | nM | 9.3 | Inhibition of PI3Kalpha (unknown origin) | 37801827 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 0.7 | nM | 9.15 | Inhibition of PI3Kdelta (unknown origin) | 37801827 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 3.7 | nM | 8.43 | Inhibition of PI3Kbeta (unknown origin) | 37801827 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 6.4 | nM | 8.19 | Inhibition of PI3Kgamma (unknown origin) | 37801827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37801827 | 10.1016/j.ejmech.2023.115835 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 37801827 | 10.1016/j.ejmech.2023.115835 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 37801827 | 10.1016/j.ejmech.2023.115835 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 37801827 | 10.1016/j.ejmech.2023.115835 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine