Compound Detail
CHEMBL483254
PANOBINOSTAT 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL483254 |
| Name | PANOBINOSTAT |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | FPOHNWQLNRZRFC-ZHACJKMWSA-N |
| Therapeutic | ✓ Yes |
49
Targets
287
Activities
3
Assay Types
30
PK Parameters
20
Publications
5
Known Names
20
Indications
Molecular Properties
349.4
MW (Da)
3.33
ALogP
3
HBA
4
HBD
77.2
PSA (Ų)
0.23
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2015 |
| Availability | Discontinued |
| Chirality | Achiral |
Indications
Neoplasms Neoplasms Hodgkin Disease Hodgkin Disease Multiple Myeloma Breast Neoplasms Bronchiolitis Obliterans Syndrome Carcinoma, Renal Cell Carcinoma, Renal Cell Colorectal Neoplasms Diffuse Intrinsic Pontine Glioma Glioblastoma Glioma Graft vs Host Disease Hematologic Neoplasms Leukemia Leukemia, Myelogenous, Chronic, BCR-ABL Positive Leukemia, Myeloid, Acute Leukemia, Plasma Cell Lymphoma
ATC Classification
L01XH03
panobinostat
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 229 meas. best 9.3
Ki 49 meas. best 10.0
EC50 9 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 3 CHEMBL1829 | Ki | 10.0 | 8.8333 | 0.1 | 6 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 9.3 | 8.4681 | 0.5 | 26 |
| Histone deacetylase 1 CHEMBL325 | Ki | 9.27 | 8.645 | 0.5 | 6 |
| Histone deacetylase 4 CHEMBL3524 | Ki | 9.22 | 6.94 | 0.6 | 5 |
| Histone deacetylase 2 CHEMBL1937 | Ki | 9.19 | 8.49 | 0.7 | 6 |
| Histone deacetylase 6 CHEMBL1865 | Ki | 9.15 | 8.316 | 0.7 | 5 |
| Histone deacetylase 5 CHEMBL2563 | Ki | 9.15 | 7.6475 | 0.7 | 4 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 9.12 | 8.4313 | 0.8 | 15 |
| Histone deacetylase CHEMBL2093865 | IC50 | 9.08 | 7.4055 | 0.8 | 11 |
| THP-1 CHEMBL614245 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 9.0 | 6.7457 | 1.0 | 14 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 9.0 | 8.0524 | 1.0 | 21 |
| Histone deacetylase 9 CHEMBL4145 | Ki | 8.92 | 6.5 | 1.2 | 4 |
| Histone deacetylase 11 CHEMBL3310 | IC50 | 8.8 | 7.22 | 1.6 | 9 |
| Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) CHEMBL2111363 | IC50 | 8.78 | 8.6967 | 1.7 | 6 |
| Histone deacetylase CHEMBL5541 | IC50 | 8.74 | 8.61 | 1.8 | 2 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 8.7 | 7.9988 | 2.0 | 16 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 8.7 | 8.1382 | 2.0 | 11 |
| Histone deacetylase 7 CHEMBL2716 | Ki | 8.64 | 6.38 | 2.3 | 4 |
| MV4-11 CHEMBL613835 | IC50 | 8.53 | 8.53 | 3.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.47 | 8.275 | 3.4 | 2 |
| Histone deacetylase 11 CHEMBL3310 | Ki | 8.46 | 7.19 | 3.5 | 2 |
| HuT78 CHEMBL613978 | EC50 | 8.37 | 8.37 | 4.3 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 8.31 | 6.8856 | 4.9 | 16 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | Ki | 8.29 | 7.9 | 5.1 | 2 |
| MV4-11 CHEMBL613835 | EC50 | 8.28 | 8.28 | 5.2 | 1 |
| Histone deacetylase 9 CHEMBL4145 | IC50 | 8.24 | 6.975 | 5.7 | 10 |
| Histone deacetylase 5 CHEMBL2563 | IC50 | 8.22 | 7.3173 | 6.0 | 11 |
| T47D CHEMBL614361 | IC50 | 8.16 | 8.16 | 7.0 | 1 |
| Histone deacetylase 7 CHEMBL2716 | IC50 | 8.09 | 6.341 | 8.2 | 10 |
| NCI-N87 CHEMBL614197 | IC50 | 8.07 | 8.07 | 8.4 | 1 |
| MCF7 CHEMBL387 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.0 | 7.7 | 10.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 8.0 | 7.8667 | 10.0 | 6 |
| CAL-27 CHEMBL1075408 | IC50 | 7.96 | 7.96 | 10.9 | 1 |
| NCI-H1975 CHEMBL614348 | IC50 | 7.76 | 7.76 | 17.5 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| KM3/BTZ CHEMBL4483251 | IC50 | 7.7 | 7.26 | 20.1 | 2 |
| A549 CHEMBL392 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Bel-7402 CHEMBL614279 | IC50 | 7.67 | 7.67 | 21.3 | 1 |
| Class 1 histone deacetylase CHEMBL4523988 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | Ki | 7.66 | 6.902 | 22.0 | 5 |
| PC-3 CHEMBL390 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| EBC-1 CHEMBL4296411 | IC50 | 7.55 | 7.55 | 27.9 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 7.54 | 7.54 | 29.1 | 1 |
| A2780 CHEMBL614004 | IC50 | 7.46 | 7.36 | 35.0 | 2 |
| HT-29 CHEMBL384 | IC50 | 7.42 | 7.42 | 37.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.34 | 6.3214 | 46.0 | 7 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 273.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 91.3 | ng.hr.mL-1 | Homo sapiens |
| AUC | 605.1 | ng.hr.mL-1 | Homo sapiens |
| AUC | 356.0 | ng.hr.mL-1 | Homo sapiens |
| AUC | 126.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 126.0 | ng.hr.mL-1 | Mus musculus |
| CL | 305.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 0.305 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 31.0 | nM | Homo sapiens |
| Cmax | 1410.0 | nM | Homo sapiens |
| Cmax | 191.0 | nM | Homo sapiens |
| Cmax | 331.97 | nM | Mus musculus |
| Cmax | 331.97 | nM | Mus musculus |
| F | 4.6 | % | Mus musculus |
| F | 4.6 | % | Mus musculus |
| F | 10.0 | % | Mus musculus |
| F | 4.62 | % | Mus musculus |
| F | 4.6 | % | Mus musculus |
| F | 4.62 | % | Mus musculus |
| T1/2 | 1.37 | hr | Mus musculus |
| T1/2 | 12.8 | hr | Homo sapiens |
| T1/2 | 16.0 | hr | Homo sapiens |
| T1/2 | 15.0 | hr | Homo sapiens |
| T1/2 | 2.9 | hr | Mus musculus |
| T1/2 | 2.9 | hr | Mus musculus |
| T1/2 | 0.6833 | hr | Homo sapiens |
| T1/2 | 1666.67 | hr | Homo sapiens |
| T1/2 | 1.05 | hr | Homo sapiens |
| T1/2 | 37.0 | hr | Homo sapiens |
| Tmax | 1.5 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine