| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1981) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | D01AC08 |
| UNII: | R9400W927I |
Structure
| InChI Key | XMAYWYJOQHXEEK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C26H28Cl2N4O4 |
| Molecular Weight | 531.44 |
| AlogP | 4.21 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 69.06 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 36.0 |
Experimental and Estimated Properties
| Property Name | Value | Unit | Method |
|---|---|---|---|
| log P (octanol-water) | 4.35 | - | EXP |
| Henry's Law Constant | 5.59E-20 | atm-m3/mole | EST |
| Atmospheric OH Rate Constant | 2.36E-10 | cm3/molecule-sec | EST |
| Melting Point | 146 | deg C | EXP |
| Water Solubility | 0.087 | mg/L | EST |
| Vapor Pressure | 1.17E-15 | mm Hg | EST |
Pharmacology
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Tinea Pedis | 4 | D014008 | ClinicalTrials |
| Dermatitis | 3 | D003872 | ClinicalTrials |
| Vaginosis, Bacterial | 3 | D016585 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 3 | D064129 | ClinicalTrials |
| Acne Vulgaris | 3 | D000152 | ClinicalTrials |
| Respiratory Distress Syndrome | 3 | D012128 | ClinicalTrials |
| Candidiasis, Vulvovaginal | 3 | D002181 | ClinicalTrials |
| Burns | 2 | D002056 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Hypogonadism | 2 | D007006 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Psoriasis | 2 | D011565 | ClinicalTrials |
| Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
| Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
| Alzheimer Disease | 1 | D000544 | ClinicalTrials |
| Asthma | 1 | D001249 | ClinicalTrials |
| Lymphoma | 1 | D008223 | ClinicalTrials |
| Neuroblastoma | 1 | D009447 | ClinicalTrials |
| Melanoma | 1 | D008545 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 1 | D003924 | ClinicalTrials |
| Osteoporosis | 1 | D010024 | ClinicalTrials |
| Multiple Sclerosis | 1 | D009103 | ClinicalTrials |
| Premature Birth | 1 | D047928 | ClinicalTrials |
| Erectile Dysfunction | 1 | D007172 | ClinicalTrials |
| Lymphoma, Non-Hodgkin | 1 | D008228 | ClinicalTrials |
| Nausea | 1 | D009325 | ClinicalTrials |
| Gastroparesis | 1 | D018589 | ClinicalTrials |
| Essential Hypertension | 1 | D000075222 | ClinicalTrials |
| Leukemia, Lymphocytic, Chronic, B-Cell | 1 | D015451 | ClinicalTrials |
| Hepatitis C | 1 | D006526 | ClinicalTrials |
| Pulmonary Disease, Chronic Obstructive | 1 | D029424 | ClinicalTrials |
| Immune System Diseases | 1 | D007154 | ClinicalTrials |
| Glioblastoma | 0 | D005909 | ClinicalTrials |
| Insulin Resistance | 0 | D007333 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 65277-42-1 |
| ChEBI | 48339 |
| ChEMBL | CHEMBL157101 |
| DrugBank | DB01026 |
| DrugCentral | 1527 |
| EPA CompTox | DTXSID20273956 |
| FDA SRS | R9400W927I |
| Guide to Pharmacology | 2568 |
| KEGG | D00351 |
| PDB | KLN |
| SureChEMBL | SCHEMBL8408 |
| ZINC | ZINC00643153 |
CONTENTS