This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
9-ING-41
DrugBank Accession Number
DB16047
Background

9-ING-41 is under investigation in clinical trial NCT04218071 (Actuate 1901: 9-ING-41 in Myelofibrosis).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 404.353
Monoisotopic: 404.08084969
Chemical Formula
C22H13FN2O5
Synonyms
Not Available
External IDs
  • 9-ING-41

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
ND1SOF0DLU
CAS number
1034895-42-5
InChI Key
FARXPFGGGGLENU-UHFFFAOYSA-N
InChI
InChI=1S/C22H13FN2O5/c1-25-7-13(11-5-17-18(6-15(11)25)30-9-29-17)19-20(22(27)24-21(19)26)14-8-28-16-3-2-10(23)4-12(14)16/h2-8H,9H2,1H3,(H,24,26,27)
IUPAC Name
3-(5-fluoro-1-benzofuran-3-yl)-4-{5-methyl-2H,5H-[1,3]dioxolo[4,5-f]indol-7-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
SMILES
CN1C=C(C2=C1C=C1OCOC1=C2)C1=C(C(=O)NC1=O)C1=COC2=CC=C(F)C=C12

References

General References
Not Available
ChemSpider
24701488
BindingDB
50267716
ChEMBL
CHEMBL483465
ZINC
ZINC000040413912

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentAdenocarcinomas of the Pancreas1
2RecruitingTreatmentAdenocarcinomas of the Pancreas / Pancreatic Adenocarcinoma Metastatic1
2RecruitingTreatmentCarcinoma, Adenoid Cystic / Metastatic Cancers / Recurrent Salivary Gland Cancer / Salivary Gland Cancers1
2RecruitingTreatmentMyelofibrosis1
2WithdrawnTreatmentCarcinoma, Adenoid Cystic / Salivary Gland Cancers / Salivary Gland Carcinomas / Salivary Gland Neoplasms1
2WithdrawnTreatmentEwing Sarcoma of Bone / Hemangiosarcoma / High Grade Sarcoma / Leiomyosarcoma (LMS) / Liposarcoma / Myxofibrosarcoma / Rhabdomyosarcomas / Sarcoma, Bone / Sarcoma, Osteogenic / Sarcoma, Spindle Cell / Soft Tissue Sarcoma (STS) / Synovial Sarcoma / Undifferentiated Pleomorphic Sarcoma1
2WithdrawnTreatmentHemangiosarcoma / High Grade Sarcoma / Leiomyosarcoma (LMS) / Liposarcoma / Metastatic Sarcoma / Myxofibrosarcoma / Rhabdomyosarcomas / Sarcoma, Bone / Sarcoma, Spindle Cell / Sarcomas / Soft Tissue Sarcoma (STS) / Synovial Sarcoma / Undifferentiated Pleomorphic Sarcoma1
1RecruitingTreatmentDiffuse Intrinsic Pontine Gliomas (DIPG) / Neuroblastoma (NB) / Pediatric Brain Tumors / Pediatric Lymphoma / Pediatric Meningioma / Pediatrics Cancer / Recurrent Neuroblastoma / Refractory Cancer / Refractory Neoplasms / Refractory Tumors1
1, 2RecruitingTreatmentAcute T Cell Leukemia Lymphoma / Adenocarcinomas of the Pancreas / Bone Metastases / Bone Neoplasms / Cancer Bone / Gliomas, Malignant / Malignancies / Malignancies Multiple / Malignant Neoplasm of Pancreas / Neoplasm of Bone / Neoplasm of Lung / Neoplasms, Breast / Neoplasms, Colorectal / Neoplasms, Metastasis / Neoplasms, Pancreatic / Refractory Cancer / Refractory Neoplasms / Refractory Non-Hodgkin's lymphoma / Renal Cancers / Resistant Cancer / Sarcomas1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0352 mg/mLALOGPS
logP3.57ALOGPS
logP2.95ChemAxon
logS-4.1ALOGPS
pKa (Strongest Acidic)9.86ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area82.7 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity103.06 m3·mol-1ChemAxon
Polarizability39.41 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at December 15, 2020 18:03 / Updated at December 20, 2020 03:35