| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2008) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | L01AA09 |
| UNII: | 9266D9P3PQ |
Structure
| InChI Key | YTKUWDBFDASYHO-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H21Cl2N3O2 |
| Molecular Weight | 358.27 |
| AlogP | 3.26 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 58.36 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 78.33 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class I
|
- | 10-17 | - | - | - | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIa
|
- | 10 | - | - | - | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | 6-10 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 48.8 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 4 | D009369 | ClinicalTrials |
| Leukemia, Lymphocytic, Chronic, B-Cell | 3 | D015451 | ClinicalTrials |
| Immunoblastic Lymphadenopathy | 3 | D007119 | ClinicalTrials |
| Multiple Myeloma | 3 | D009101 | ClinicalTrials |
| Lymphoma | 3 | D008223 | ClinicalTrials |
| Lymphoma, Follicular | 3 | D008224 | ClinicalTrials |
| Lymphoma, Large B-Cell, Diffuse | 3 | D016403 | ClinicalTrials |
| Lymphoma, B-Cell, Marginal Zone | 3 | D018442 | ClinicalTrials |
| Lymphoma, Non-Hodgkin | 3 | D008228 | ClinicalTrials |
| Lymphoma, Follicular | 3 | D008224 | ClinicalTrials |
| Hodgkin Disease | 3 | D006689 | ClinicalTrials |
| Hodgkin Disease | 3 | D006689 | ClinicalTrials |
| Lymphoma, B-Cell, Marginal Zone | 3 | D018442 | ClinicalTrials |
| Lymphoma, Mantle-Cell | 3 | D020522 | ClinicalTrials |
| Lymphoma, T-Cell, Peripheral | 2 | D016411 | ClinicalTrials |
| Leukemia | 2 | D007938 | ClinicalTrials |
| Precursor Cell Lymphoblastic Leukemia-Lymphoma | 2 | D054198 | ClinicalTrials |
| Leukemia, Hairy Cell | 2 | D007943 | ClinicalTrials |
| Waldenstrom Macroglobulinemia | 2 | D008258 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
| Hematologic Neoplasms | 2 | D019337 | ClinicalTrials |
| Small Cell Lung Carcinoma | 2 | D055752 | ClinicalTrials |
| Amyloidosis, Familial | 2 | D028226 | ClinicalTrials |
| Anemia, Hemolytic, Autoimmune | 2 | D000744 | ClinicalTrials |
| Hematologic Neoplasms | 2 | D019337 | ClinicalTrials |
| Leukemia, Plasma Cell | 1 | D007952 | ClinicalTrials |
| Lymphoma, B-Cell | 1 | D016393 | ClinicalTrials |
| Myelodysplastic Syndromes | 1 | D009190 | ClinicalTrials |
| Leukemia, Myelogenous, Chronic, BCR-ABL Positive | 1 | D015464 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
| Prostatic Neoplasms | 1 | D011471 | ClinicalTrials |
| Leukemia, Biphenotypic, Acute | 1 | D015456 | ClinicalTrials |
Related Entries
MCS
Side Effects from Label
Side Effects (PT)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16506-27-7 |
| ChEBI | 135515 |
| ChEMBL | CHEMBL487253 |
| DrugBank | DB06769 |
| DrugCentral | 302 |
| EPA CompTox | DTXSID2046888 |
| FDA SRS | 9266D9P3PQ |
| Guide to Pharmacology | 7478 |
| PubChem | 65628 |
| SureChEMBL | SCHEMBL26319 |
| ZINC | ZINC000004214955 |
CONTENTS