Compound Detail
CHEMBL4532398
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C[C@@H]1CN(C(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cnn(CCCCCCC(=O)NO)c4n3)cc2)CCO1
Basic Information
| ChEMBL ID | CHEMBL4532398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPXRCUVTZDXVHY-HXUWFJFHSA-N |
13
Targets
13
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
566.7
MW (Da)
3.04
ALogP
10
HBA
3
HBD
147.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 13 meas. best 9.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 9.72 | 9.72 | 0.2 | 1 |
| Polyamine deacetylase HDAC10 CHEMBL5103 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
| Histone deacetylase 2 CHEMBL1937 | IC50 | 9.21 | 9.21 | 0.6 | 1 |
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Histone deacetylase 8 CHEMBL3192 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Histone deacetylase 3 CHEMBL1829 | IC50 | 8.83 | 8.83 | 1.5 | 1 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Raji CHEMBL614628 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 8.39 | 8.39 | 4.0 | 1 |
| MM1.S CHEMBL4296471 | IC50 | 8.14 | 8.14 | 7.3 | 1 |
| OCI-AML2 CHEMBL2366220 | IC50 | 8.04 | 8.04 | 9.0 | 1 |
| OCI-AML-3 CHEMBL4296479 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.76 | 7.76 | 17.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine