PYRONARIDINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Parent
UNII: TD3P7Q3SG6

Structure
InChI Key DJUFPMUQJKWIJB-UHFFFAOYSA-N
Smile COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1
InChI
InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H32ClN5O2
Molecular Weight 518.06
AlogP 6.09
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 73.75
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 37.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- 5500 - - -
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MELK subfamily
- - - - 31
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family
- - - - 31
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 7.32-9.93

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria 3 D008288 ClinicalTrials
Malaria, Falciparum 3 D016778 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Schistosomiasis haematobia 2 D012553 ClinicalTrials
Conjunctivitis, Allergic 2 D003233 ClinicalTrials
Infections 2 D007239 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 74847-35-1
ChEBI 135951
ChEMBL CHEMBL35228
DrugBank DB12975
DrugCentral 4339
FDA SRS TD3P7Q3SG6
Guide to Pharmacology 10086
PubChem 107771
SureChEMBL SCHEMBL247252
ZINC ZINC000003882897
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