DANIRIXIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: R318PGH5VP

Structure
InChI Key NGYNBSHYFOFVLS-LBPRGKRZSA-N
Smile Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O
InChI
InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21ClFN3O4S
Molecular Weight 441.91
AlogP 3.66
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 107.53
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Interleukin-8 receptor B antagonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 0.2662
Enzyme Transferase
- - - - 14.63
Enzyme
- - - - 0.2662
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 2.18-36.09
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CX3C chemokine receptor
800.53 - - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- 5-12.5 6.31 1.95-3.6 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - - 11.74
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - -
Membrane receptor
800.53 5-12.5 6.31 1.95-3.6
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - - 14.92

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Virus Diseases 2 D014777 ClinicalTrials
Respiratory Syncytial Virus Infections 1 D018357 ClinicalTrials
Respiratory Tract Infections 1 D012141 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 954126-98-8
ChEMBL CHEMBL3039531
DrugBank DB11922
FDA SRS R318PGH5VP
Guide to Pharmacology 8500
PubChem 24780598
SureChEMBL SCHEMBL1198688
ZINC ZINC000095627831
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