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AUM-302

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

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Identification

Generic Name
AUM-302
DrugBank Accession Number
DB18114
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 567.63
Monoisotopic: 567.050495765
Chemical Formula
C25H18FN5O4S3
Synonyms
  • 19H-22,25-Epithio-4,6:7,11:14,18-trimetheno-12H-pyrimido[5,4-j][1,9,2,5,17]dithiatriazacyclotricosin-19-one, 17-fluoro-20,21-dihydro-10-methoxy-29-methyl-, 13,13-dioxide
External IDs
  • AUM 302
  • AUM-302
  • AUM302
  • IBL-302
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Pharmacology

Indication

Not Available

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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
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
F7WQK85U32
CAS number
1414455-21-2
InChI Key
WHJIHZSXTQRCNX-UHFFFAOYSA-N
InChI
InChI=1S/C25H18FN5O4S3/c1-12-20-23-21(30-11-29-20)19-6-3-14(36-19)10-27-24(32)16-8-15(4-5-17(16)26)38(33,34)31-18-7-13(22(12)37-23)9-28-25(18)35-2/h3-9,11,31H,10H2,1-2H3,(H,27,32)
IUPAC Name
18-fluoro-25-methoxy-31-methyl-3,22lambda6,30-trithia-6,8,15,23,26-pentaazahexacyclo[22.3.1.1^{2,5}.1^{10,13}.1^{17,21}.0^{4,9}]hentriaconta-1(27),2(31),4(9),5,7,10,12,17(29),18,20,24(28),25-dodecaene-16,22,22-trione
SMILES
COC1=NC=C2C=C1NS(=O)(=O)C1=CC=C(F)C(=C1)C(=O)NCC1=CC=C(S1)C1=C3SC2=C(C)C3=NC=N1

References

General References
Not Available
ChEMBL
CHEMBL4878958

Clinical Trials

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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
logP3.76Chemaxon
pKa (Strongest Acidic)6.04Chemaxon
pKa (Strongest Basic)5.1Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area123.17 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity141.29 m3·mol-1Chemaxon
Polarizability55.08 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 12, 2023 16:40 / Updated at September 12, 2023 18:34