EPACADOSTAT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01XX58
UNII: 71596A9R13

Structure
InChI Key FBKMWOJEPMPVTQ-UHFFFAOYSA-N
Smile NS(=O)(=O)NCCNc1nonc1/C(=N/O)Nc1ccc(F)c(Br)c1
InChI
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13BrFN7O4S
Molecular Weight 438.24
AlogP 0.42
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 7.0
Polar Surface Area 167.76
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Indoleamine 2,3-dioxygenase inhibitor PubMed
Primary Target
indoleamine 2,3-dioxygenase 1
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
8-13 3-125 3460 21700-21700 92-101

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Lung Neoplasms 3 D008175 ClinicalTrials
Melanoma 3 D008545 ClinicalTrials
Melanoma 3 D008545 ClinicalTrials
Head and Neck Neoplasms 3 D006258 ClinicalTrials
Urogenital Neoplasms 3 D014565 ClinicalTrials
Carcinoma, Renal Cell 3 D002292 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Sarcoma 2 D012509 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Gastrointestinal Stromal Tumors 2 D046152 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Carcinoma, Pancreatic Ductal 2 D021441 ClinicalTrials
Hereditary Breast and Ovarian Cancer Syndrome 2 D061325 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Urinary Bladder Neoplasms 2 D001749 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Thymoma 2 D013945 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Fallopian Tube Neoplasms 1 D005185 ClinicalTrials
Rectal Neoplasms 1 D012004 ClinicalTrials
Hematologic Neoplasms 1 D019337 ClinicalTrials
Prostatic Neoplasms 1 D011471 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Peritoneal Neoplasms 1 D010534 ClinicalTrials
Fallopian Tube Neoplasms 1 D005185 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1204669-58-8
ChEMBL CHEMBL3545369
DrugBank DB11717
FDA SRS 71596A9R13
Guide to Pharmacology 8221
PDB BBJ
PubChem 135564890
SureChEMBL SCHEMBL18823200
ZINC ZINC000113208009
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