Compound Detail
CHEMBL1851943
PRACINOSTAT 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL1851943 |
| Name | PRACINOSTAT |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | JHDKZFFAIZKUCU-ZRDIBKRKSA-N |
19
Targets
35
Activities
3
Assay Types
6
PK Parameters
20
Publications
4
Known Names
7
Indications
Molecular Properties
358.5
MW (Da)
3.24
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Leukemia, Myeloid, Acute Myelodysplastic Syndromes Myeloproliferative Disorders Prostatic Neoplasms, Castration-Resistant Sarcoma Neoplasms Neoplasms
Activity Summary
IC50 20 meas. best 7.3
Ki 14 meas. best 7.8
EC50 1 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 2 CHEMBL1937 | Ki | 7.8 | 7.685 | 16.0 | 2 |
| Histone deacetylase 4 CHEMBL3524 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | Ki | 7.8 | 7.56 | 16.0 | 2 |
| Histone deacetylase 1 CHEMBL325 | Ki | 7.8 | 7.675 | 16.0 | 2 |
| Histone deacetylase 3 CHEMBL1829 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Histone deacetylase 5 CHEMBL2563 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Histone deacetylase 9 CHEMBL4145 | Ki | 7.62 | 7.62 | 24.0 | 1 |
| Histone deacetylase 11 CHEMBL3310 | Ki | 7.37 | 7.37 | 43.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) CHEMBL2111363 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.1 | 7.1 | 80.0 | 2 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 7.09 | 6.13 | 82.0 | 3 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.03 | 6.7467 | 93.0 | 3 |
| Histone deacetylase 7 CHEMBL2716 | Ki | 6.97 | 6.97 | 107.0 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 6.9 | 6.9 | 126.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.85 | 6.2 | 140.0 | 2 |
| Plasmodium berghei CHEMBL612653 | IC50 | 6.82 | 6.82 | 150.0 | 2 |
| Histone deacetylase 6 CHEMBL1865 | Ki | 6.61 | 6.61 | 247.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 6.54 | 6.54 | 290.0 | 1 |
| Histone deacetylase 5 CHEMBL2563 | IC50 | 5.29 | 5.29 | 5113.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.27 | 5.27 | 5340.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.27 | 5.27 | 5340.0 | 1 |
| T47D CHEMBL614361 | IC50 | 5.27 | 5.27 | 5340.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.02 | 5.02 | 9549.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1028.0 | ng.hr.mL-1 | Homo sapiens |
| Cmax | 497.0 | nM | Homo sapiens |
| T1/2 | 6.7 | hr | Homo sapiens |
| T1/2 | 6.0 | hr | Rattus norvegicus |
| T1/2 | 6.0 | hr | Homo sapiens |
| Tmax | 1.2 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine