Compound Detail
CHEMBL4448410
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4448410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFUGFWWXDWPEQE-UHFFFAOYSA-N |
12
Targets
13
Activities
1
Assay Types
10
PK Parameters
20
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
1.57
ALogP
7
HBA
2
HBD
92.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.77 | 7.77 | 17.0 | 2 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 6.06 | 6.06 | 865.0 | 1 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.03 | 6.03 | 924.0 | 1 |
| Histone deacetylase 7 CHEMBL2716 | IC50 | 6.01 | 6.01 | 985.0 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 6.01 | 6.01 | 984.0 | 1 |
| Histone deacetylase 11 CHEMBL3310 | IC50 | 5.99 | 5.99 | 1015.0 | 1 |
| Histone deacetylase 9 CHEMBL4145 | IC50 | 5.84 | 5.84 | 1439.0 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 5.77 | 5.77 | 1695.0 | 1 |
| Histone deacetylase 5 CHEMBL2563 | IC50 | 5.69 | 5.69 | 2035.0 | 1 |
| Histone deacetylase 4 CHEMBL3524 | IC50 | 5.51 | 5.51 | 3068.0 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 5.43 | 5.43 | 3698.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.32 | 4.32 | 47400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 253.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 94.0 | ng.hr.mL-1 | Mus musculus |
| CL | 171.67 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 789.83 | nM | Mus musculus |
| F | 19.0 | % | Mus musculus |
| F | 16.0 | % | Canis lupus familiaris |
| F | 25.0 | % | Rattus norvegicus |
| T1/2 | 1.0 | hr | Mus musculus |
| Tmax | 0.08 | hr | Mus musculus |
| Vd | 15.3 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine