ONAMETOSTAT

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII N8VKI8FPW0

Structure

InChI Key DBSMLQTUDJVICQ-CJODITQLSA-N
Smiles Nc1nc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccc2cc1Br
InChI
InChI=1S/C22H23BrN6O2/c23-15-8-12-3-1-11(7-16(12)28-21(15)25)2-4-13-9-17(19(31)18(13)30)29-6-5-14-20(24)26-10-27-22(14)29/h1,3,5-8,10,13,17-19,30-31H,2,4,9H2,(H2,25,28)(H2,24,26,27)/t13-,17+,18+,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H23BrN6O2
Molecular Weight 483.37
AlogP 2.82
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 136.1
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Reader Methyl-lysine/arginine binding protein WDR domain
- 0.13 - - -
Epigenetic regulator Writer Protein methyltransferase Protein arginine methyltransferase
- 0.13-6.3 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.13-6.3 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4249337
FDA SRS N8VKI8FPW0
PDB K8N
SureChEMBL SCHEMBL18572106
CONTENTS