Compound Detail
CHEMBL3414626
PINOMETOSTAT 🧪 Phase II
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🧪 Phase II
CC(C)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1C[C@@H](CCc2nc3cc(C(C)(C)C)ccc3[nH]2)C1
Basic Information
| ChEMBL ID | CHEMBL3414626 |
| Name | PINOMETOSTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LXFOLMYKSYSZQS-LURJZOHASA-N |
7
Targets
25
Activities
3
Assay Types
14
PK Parameters
20
Publications
4
Known Names
2
Indications
Molecular Properties
562.7
MW (Da)
3.32
ALogP
10
HBA
4
HBD
151.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Leukemia, Myeloid, Acute Precursor Cell Lymphoblastic Leukemia-Lymphoma
Activity Summary
IC50 18 meas. best 9.13
EC50 4 meas. best 8.4
Ki 3 meas. best 10.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase, H3 lysine-79 specific CHEMBL1795117 | Ki | 10.92 | 10.3733 | 0.0 | 3 |
| Histone-lysine N-methyltransferase, H3 lysine-79 specific CHEMBL1795117 | IC50 | 9.13 | 8.3971 | 0.7 | 7 |
| MOLM-13 CHEMBL3706572 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| MV4-11 CHEMBL613835 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| THP-1 CHEMBL614245 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Histone-lysine N-methyltransferase, H3 lysine-79 specific CHEMBL1795117 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.82 | 7.56 | 15.0 | 2 |
| MOLM-13 CHEMBL3706572 | IC50 | 7.68 | 7.2033 | 21.0 | 6 |
| KOPN-8 CHEMBL4296456 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| RS4-11 CHEMBL2366159 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 0.6617 | ng.hr.mL-1 | Mus musculus |
| AUC | 4833.33 | ng.hr.mL-1 | Mus musculus |
| AUC | - | - | Mus musculus |
| AUC | 4866.67 | ng.hr.mL-1 | Mus musculus |
| CL | 17.1 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 28.26 | nM | Mus musculus |
| Cmax | 24701.45 | nM | Mus musculus |
| F | - | % | Mus musculus |
| t1/2 | - | - | Mus musculus |
| T1/2 | 0.72 | hr | Mus musculus |
| Tmax | 0.08333 | hr | Mus musculus |
| Tmax | 0.08333 | hr | Mus musculus |
| Vd | - | - | Mus musculus |
| Vd | 1.07 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine