| Synonyms: | |
| Status: | Approved (2020) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | IOW153004F |
Structure
| InChI Key | DHMTURDWPRKSOA-RUZDIDTESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C27H31Br2ClN4O2 |
| Molecular Weight | 638.83 |
| AlogP | 5.91 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 79.53 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 36.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Protein farnesyltransferase inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 40 | - | - | - | |
|
Enzyme
Transferase
|
100 | 1.9-500000 | - | - | 100 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -24.81--3.38 | |
|
Other cytosolic protein
|
- | 70 | - | - | - | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 2700 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasm Metastasis | 3 | D009362 | ClinicalTrials |
| Hepatitis D | 3 | D003699 | ClinicalTrials |
| Myelodysplastic Syndromes | 3 | D009190 | ClinicalTrials |
| Leukemia, Myelomonocytic, Chronic | 3 | D015477 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 3 | D002289 | ClinicalTrials |
| Urinary Bladder Neoplasms | 2 | D001749 | ClinicalTrials |
| Leukemia, Myelogenous, Chronic, BCR-ABL Positive | 2 | D015464 | ClinicalTrials |
| Liver Neoplasms | 2 | D008113 | ClinicalTrials |
| Urethral Neoplasms | 2 | D014523 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Ovarian Neoplasms | 2 | D010051 | ClinicalTrials |
| Colorectal Neoplasms | 1 | D015179 | ClinicalTrials |
| Gliosarcoma | 1 | D018316 | ClinicalTrials |
| Head and Neck Neoplasms | 1 | D006258 | ClinicalTrials |
| Central Nervous System Neoplasms | 1 | D016543 | ClinicalTrials |
| Astrocytoma | 1 | D001254 | ClinicalTrials |
| Lymphoma | 1 | D008223 | ClinicalTrials |
| Glioblastoma | 1 | D005909 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 193275-84-2 |
| ChEBI | 47097 |
| ChEMBL | CHEMBL298734 |
| DrugBank | DB06448 |
| DrugCentral | 5414 |
| EPA CompTox | DTXSID90172927 |
| FDA SRS | IOW153004F |
| Guide to Pharmacology | 8024 |
| PDB | 336 |
| PharmGKB | PA166129466 |
| PubChem | 148195 |
| SureChEMBL | SCHEMBL19032 |
| ZINC | ZINC000003950115 |
CONTENTS