| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2004) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | A07AA11 |
| UNII: | L36O5T016N |
Structure
| InChI Key | NZCRJKRKKOLAOJ-XRCRFVBUSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C43H51N3O11 |
| Molecular Weight | 785.89 |
| AlogP | 6.16 |
| Hydrogen Bond Acceptor | 13.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 198.38 |
| Molecular species | ACID |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 57.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Bacterial DNA-directed RNA polymerase inhibitor | DailyMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transcription factor
Nuclear receptor
Nuclear hormone receptor subfamily 1
Nuclear hormone receptor subfamily 1 group I
Nuclear hormone receptor subfamily 1 group I member 2
|
2200-14100 | - | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 63 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 42000 | - | - | - | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 15400 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diarrhea | 4 | D003967 | ClinicalTrials |
| Parkinson Disease | 3 | D010300 | ClinicalTrials |
| Irritable Bowel Syndrome | 3 | D043183 | ClinicalTrials |
| Peritonitis | 3 | D010538 | ClinicalTrials |
| Helicobacter Infections | 3 | D016481 | ClinicalTrials |
| Colitis, Collagenous | 3 | D046729 | ClinicalTrials |
| Clostridium Infections | 3 | D003015 | ClinicalTrials |
| Brain Diseases | 3 | D001927 | ClinicalTrials |
| Rectal Neoplasms | 3 | D012004 | ClinicalTrials |
| Liver Cirrhosis | 3 | D008103 | ClinicalTrials |
| Crohn Disease | 3 | D003424 | ClinicalTrials |
| Hepatitis, Alcoholic | 3 | D006519 | ClinicalTrials |
| Heart Failure, Systolic | 2 | D054143 | ClinicalTrials |
| Hepatitis C | 2 | D006526 | ClinicalTrials |
| Rosacea | 2 | D012393 | ClinicalTrials |
| Vaginosis, Bacterial | 2 | D016585 | ClinicalTrials |
| HIV Infections | 2 | D015658 | ClinicalTrials |
| HIV Infections | 2 | D015658 | ClinicalTrials |
| Alzheimer Disease | 2 | D000544 | ClinicalTrials |
| Dyspepsia | 2 | D004415 | ClinicalTrials |
| Intestinal Pseudo-Obstruction | 2 | D007418 | ClinicalTrials |
| Diverticulitis | 2 | D004238 | ClinicalTrials |
| Anemia, Sickle Cell | 2 | D000755 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
| Persian Gulf Syndrome | 1 | D018923 | ClinicalTrials |
| Neoplasms | 1 | D009369 | ClinicalTrials |
| Cholangitis, Sclerosing | 1 | D015209 | ClinicalTrials |
| Renal Insufficiency, Chronic | 0 | D051436 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 80621-81-4 |
| ChEBI | 75246 |
| ChEMBL | CHEMBL1617 |
| DrugBank | DB01220 |
| DrugCentral | 2379 |
| EPA CompTox | DTXSID7045998 |
| FDA SRS | L36O5T016N |
| KEGG | D02554 |
| PDB | RXM |
| PharmGKB | PA164752443 |
| PubChem | 6436173 |
| SureChEMBL | SCHEMBL124066 |
| ZINC | ZINC000169621200 |
CONTENTS