Compound Detail
CHEMBL2216870
IDELALISIB 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL2216870 |
| Name | IDELALISIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | IFSDAJWBUCMOAH-HNNXBMFYSA-N |
| Therapeutic | ✓ Yes |
40
Targets
217
Activities
2
Assay Types
30
PK Parameters
20
Publications
5
Known Names
20
Indications
1
Mechanisms
Molecular Properties
415.4
MW (Da)
3.75
ALogP
7
HBA
2
HBD
101.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2014 |
| Availability | Prescription |
| 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
Leukemia, Lymphocytic, Chronic, B-Cell Lymphoma, Non-Hodgkin Lymphoma, Non-Hodgkin Neoplasms Neoplasms Lymphoma Lymphoma, Follicular Lymphoma, Follicular Amyloidosis Hodgkin Disease Lymphoma, Large B-Cell, Diffuse Lymphoma, Mantle-Cell Waldenstrom Macroglobulinemia Waldenstrom Macroglobulinemia Carcinoma, Pancreatic Ductal Leukemia, Myeloid, Acute Multiple Myeloma Precursor Cell Lymphoblastic Leukemia-Lymphoma Primary Myelofibrosis Rhinitis, Allergic, Seasonal
ATC Classification
L01EM01
idelalisib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Drug Warnings
Black Box Warning
gastrointestinal toxicity
Black Box Warning
hepatotoxicity
Black Box Warning
infectious disease
Black Box Warning
respiratory toxicity
Activity Summary
IC50 215 meas. best 9.0
EC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 9.0 | 8.3208 | 1.0 | 49 |
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 8.97 | 8.2544 | 1.1 | 9 |
| Unchecked CHEMBL612545 | IC50 | 8.26 | 5.6858 | 5.5 | 12 |
| TMD8 CHEMBL4296503 | IC50 | 8.14 | 7.12 | 7.3 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | EC50 | 8.1 | 8.1 | 8.0 | 2 |
| Raji CHEMBL614628 | IC50 | 8.0 | 6.5 | 9.9 | 2 |
| SU-DHL-6 CHEMBL4296496 | IC50 | 7.65 | 7.0643 | 22.5 | 7 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 7.56 | 6.87 | 27.4 | 33 |
| OCI-Ly10 CHEMBL4483285 | IC50 | 7.5 | 7.5 | 31.9 | 1 |
| Neutrophil CHEMBL5314326 | IC50 | 7.16 | 6.84 | 70.0 | 2 |
| Neutrophil CHEMBL613710 | IC50 | 7.16 | 6.84 | 70.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.0 | 5.6157 | 100.0 | 7 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.92 | 6.2996 | 120.1 | 25 |
| JeKo-1 CHEMBL4296445 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.75 | 5.99 | 177.2 | 22 |
| PI3K p110 beta/p85 alpha CHEMBL3038510 | IC50 | 6.53 | 5.9 | 293.0 | 4 |
| A549 CHEMBL392 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| PI3-kinase p110-alpha/p85-alpha CHEMBL2111367 | IC50 | 6.39 | 5.7329 | 409.0 | 7 |
| HL-60 CHEMBL383 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| T47D CHEMBL614361 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3885615 | IC50 | 6.24 | 6.24 | 579.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| DOHH-2 CHEMBL2366181 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 6.04 | 5.045 | 920.0 | 2 |
| KM12 CHEMBL614709 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | IC50 | 6.01 | 5.685 | 980.0 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL2189158 | IC50 | 5.88 | 5.88 | 1302.0 | 1 |
| SUD4 CHEMBL613711 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.53 | 5.53 | 2960.0 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 5.44 | 5.44 | 3660.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.37 | 5.105 | 4300.0 | 2 |
| OCI-Ly3 CHEMBL4523565 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 5.26 | 5.26 | 5490.0 | 1 |
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 5.17 | 5.17 | 6700.0 | 2 |
| Pfeiffer CHEMBL4296489 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| KARPAS-422 CHEMBL2366368 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
| KG-1 CHEMBL612264 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 4.42 | 4.42 | 38220.0 | 1 |
| Bel-7402 CHEMBL614279 | IC50 | 4.18 | 4.18 | 66230.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 4.11 | 4.11 | 77550.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 512.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 924.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 422.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1396.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3191.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3086.64 | ng.hr.mL-1 | Mus musculus |
| AUC | 3842.73 | ng.hr.mL-1 | Mus musculus |
| AUC | 201.88 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 5.25 | uL.min-1.(10^6cells)-1 | Homo sapiens |
| CL | 19.5 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| CL | 21.88 | mL.min-1.g-1 | Homo sapiens |
| CL | 32.8 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 21.5 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 24.5 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 54.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 0.76 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 47.8 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.8 | mL.min-1.g-1 | Homo sapiens |
| CL | 9.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 7.0 | mL.min-1.g-1 | Homo sapiens |
| Cmax | 310.52 | nM | Rattus norvegicus |
| Cmax | 5577.35 | nM | Rattus norvegicus |
| Cmax | 6980.0 | nM | Mus musculus |
| Cmax | 3460.0 | nM | Rattus norvegicus |
| Cmax | 310.0 | nM | Rattus norvegicus |
| Cmax | 500.0 | nM | Canis lupus familiaris |
| Cmax | 127.63 | nM | Rattus norvegicus |
| F | 68.0 | % | Rattus norvegicus |
| F | 39.0 | % | Rattus norvegicus |
| F | 45.8 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | U2OS | 320 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 320 |
| - | 10.6019/CHEMBL5724801 | HEK-293T | 320 |
| - | 10.6019/CHEMBL4689842 | U2OS | 262 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 260 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 260 |
| 33297683 | 10.1021/acs.jmedchem.0c01264 | ADMET | 34 |
| 34237636 | 10.1016/j.ejmech.2021.113661 | Unchecked | 24 |
| 27784673 | 10.1182/blood-2016-08-731240 | mTORC1 | 24 |
| 27784673 | 10.1182/blood-2016-08-731240 | Unchecked | 20 |
| 35191698 | 10.1021/acs.jmedchem.1c01520 | Bel-7402 | 11 |
| 37094451 | 10.1016/j.ejmech.2023.115331 | ADMET | 10 |
| - | 10.6019/CHEMBL5058564 | U2OS | 10 |
| 26254279 | 10.18632/oncotarget.4214 | Unchecked | 9 |
| 28105286 | 10.1021/acsmedchemlett.6b00438 | ADMET | 9 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 8 |
| - | 10.6019/CHEMBL5058564 | HEK-293T | 8 |
| 30878826 | 10.1016/j.ejmech.2019.03.005 | ADMET | 8 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 8 |
| 27784673 | 10.1182/blood-2016-08-731240 | Myc proto-oncogene protein | 8 |
Data from ChEMBL 36 via Core Engine