Details
Stereochemistry | ACHIRAL |
Molecular Formula | C11H13BrFN7O4S |
Molecular Weight | 438.2339 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
c1cc(c(cc1N=C(c2c(NCCNS(=O)(=O)N)non2)NO)Br)F
InChI
InChIKey=FBKMWOJEPMPVTQ-UHFFFAOYSA-N
InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
Molecular Formula | C11H13BrFN7O4S |
Molecular Weight | 438.2339 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
DescriptionCurator's Comment:: description was created based on several sources, including:
http://adisinsight.springer.com/drugs/800025047 | https://newdrugapprovals.org/2016/04/page/4/ | https://www.ncbi.nlm.nih.gov/pubmed/28053021
Curator's Comment:: description was created based on several sources, including:
http://adisinsight.springer.com/drugs/800025047 | https://newdrugapprovals.org/2016/04/page/4/ | https://www.ncbi.nlm.nih.gov/pubmed/28053021
Epacadostat (INCB024360) is an orally available hydroxyamidine and inhibitor of indoleamine 2,3- dioxygenase (IDO1). It shows little activity against other related enzymes such as IDO2 or tryptophan 2,3-dioxygenase (TDO). Epacadostat displays potential immune modulating and antineoplastic activities. Epacadostat has been tested in phase II and III studies for the treatment of malignant melanoma, fallopian tube cancer, non-small cell lung cancer, ovarian cancer, peritoneal cancer, solid tumors, pancreatic cancer. The most common detected adverse events were fatigue, nausea, decreased appetite, vomiting, constipation, abdominal pain, diarrhea, dyspnea, back pain, and cough.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL4685 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20197554 |
71.8 nM [IC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
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Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT03006302
50, 100, or 300 mg taken by mouth twice a day
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20197554
Epacadostat demonstrated little inhibition of TDO or IDO2 activity at 10 or 5uM, respectively, and no effect on trp uptake at 30 uM.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 13:44:35 UTC 2021
by
admin
on
Sat Jun 26 13:44:35 UTC 2021
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Record UNII |
71596A9R13
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C129820
Created by
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NCI_THESAURUS |
C141137
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admin on Sat Jun 26 13:44:36 UTC 2021 , Edited by admin on Sat Jun 26 13:44:36 UTC 2021
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FDA ORPHAN DRUG |
493015
Created by
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WHO-ATC |
L01XX58
Created by
admin on Sat Jun 26 13:44:36 UTC 2021 , Edited by admin on Sat Jun 26 13:44:36 UTC 2021
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1204669-37-3
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NON-SPECIFIC STEREOCHEMISTRY | |||
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10180
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71596A9R13
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DB11717
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C92582
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SUB182018
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135564890
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1204669-58-8
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1220975-17-6
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NO STRUCTURE GIVEN | |||
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CHEMBL3545369
Created by
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