Compound Detail
CHEMBL4296717
RESMINOSTAT 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL4296717 |
| Name | RESMINOSTAT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | FECGNJPYVFEKOD-VMPITWQZSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
14
Publications
6
Known Names
7
Indications
Molecular Properties
349.4
MW (Da)
1.31
ALogP
6
HBA
2
HBD
91.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Carcinoma, Hepatocellular Hodgkin Disease Lymphoma, T-Cell, Cutaneous Mycosis Fungoides Neoplasms Sezary Syndrome Colorectal Neoplasms
ATC Classification
L01XH07
resminostat
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 5 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase 1 CHEMBL325 | IC50 | 7.37 | 6.715 | 43.0 | 2 |
| Histone deacetylase 6 CHEMBL1865 | IC50 | 7.31 | 7.1967 | 48.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase 1 | IC50 | = | 43.0 | nM | 7.37 | Inhibition of C-terminal Flag-tagged HDAC1 (unknown origin) expressed in HEK293 ... | 32067866 |
| Histone deacetylase 6 | IC50 | = | 48.5 | nM | 7.31 | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 wi... | - |
| Histone deacetylase 6 | IC50 | = | 72.0 | nM | 7.14 | Inhibition of recombinant C-terminal FLAG-tagged HDAC6 (unknown origin) using Ac... | 31793776 |
| Histone deacetylase 6 | IC50 | = | 72.0 | nM | 7.14 | Inhibition of C-terminal Flag-tagged HDAC6 (unknown origin) expressed in HEK293 ... | 32067866 |
| Histone deacetylase 1 | IC50 | = | 877.0 | nM | 6.06 | Inhibition of C-terminal Flag-tagged HDAC1 (unknown origin) expressed in HEK293 ... | 32067866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30035186 | 10.18632/oncoscience.420 | Hep 3B2 | 35 |
| 30035186 | 10.18632/oncoscience.420 | Unchecked | 11 |
| 28218840 | 10.1021/acs.jmedchem.6b01507 | Leukotriene A-4 hydrolase | 5 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 4 |
| 33691794 | 10.1186/s13148-021-01037-1 | A549 | 4 |
| 30035186 | 10.18632/oncoscience.420 | HepG2 | 3 |
| 30035186 | 10.18632/oncoscience.420 | Huh-7 | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 32067866 | 10.1016/j.bmcl.2020.127023 | Histone deacetylase 1 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 31793776 | 10.1021/acs.jmedchem.9b01540 | Histone deacetylase 6 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 32067866 | 10.1016/j.bmcl.2020.127023 | Histone deacetylase 6 | 1 |
Data from ChEMBL 36 via Core Engine