SELINEXOR

Search structure
Trade Names:
Synonyms:
Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L01XX66
UNII: 31TZ62FO8F

Structure
InChI Key DEVSOMFAQLZNKR-RJRFIUFISA-N
Smile O=C(/C=C\n1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NNc1cnccn1
InChI
InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H11F6N7O
Molecular Weight 443.31
AlogP 3.39
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 97.62
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Exportin-1 inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -23.34--6.35
Unclassified protein
12 34-55 18.74 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 4 D009369 ClinicalTrials
Lymphoma, Large B-Cell, Diffuse 4 D016403 ClinicalTrials
Leukemia, Myeloid, Acute 3 D015470 ClinicalTrials
Primary Myelofibrosis 3 D055728 ClinicalTrials
Endometrial Neoplasms 3 D016889 ClinicalTrials
Lymphoma, T-Cell, Peripheral 2 D016411 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Lymphoma, Follicular 2 D008224 ClinicalTrials
Liposarcoma 2 D008080 ClinicalTrials
Myelodysplastic Syndromes 2 D009190 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Carcinoma, Squamous Cell 2 D002294 ClinicalTrials
Small Cell Lung Carcinoma 2 D055752 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Thymoma 2 D013945 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Lymphoma, T-Cell, Peripheral 2 D016411 ClinicalTrials
Liposarcoma 2 D008080 ClinicalTrials
Thymus Neoplasms 2 D013953 ClinicalTrials
Paraganglioma 2 D010235 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Amyloidosis 1 D000686 ClinicalTrials
Fallopian Tube Neoplasms 1 D005185 ClinicalTrials
Hematologic Neoplasms 1 D019337 ClinicalTrials
Diabetic Foot 1 D017719 ClinicalTrials
Leukemia 1 D007938 ClinicalTrials
Urinary Bladder Neoplasms 1 D001749 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Leukemia, Biphenotypic, Acute 1 D015456 ClinicalTrials
Rectal Neoplasms 1 D012004 ClinicalTrials
Sarcoma 1 D012509 ClinicalTrials
Precursor Cell Lymphoblastic Leukemia-Lymphoma 1 D054198 ClinicalTrials
Leukemia, Myelogenous, Chronic, BCR-ABL Positive 1 D015464 ClinicalTrials
Gliosarcoma 1 D018316 ClinicalTrials
Carcinoma, Hepatocellular 1 D006528 ClinicalTrials
Amyloidosis, Familial 1 D028226 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 1 D002289 ClinicalTrials
Sarcoma 1 D012509 ClinicalTrials
Triple Negative Breast Neoplasms 1 D064726 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1393477-72-9
ChEMBL CHEMBL3545185
DrugBank DB11942
DrugCentral 5330
FDA SRS 31TZ62FO8F
Guide to Pharmacology 10036
PubChem 71481097
SureChEMBL SCHEMBL14678327
ZINC ZINC000096170454
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