HYMENIALDISINE

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
UNII 5WMS4GA67M
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key ATBAETXFFCOZOY-DAXSKMNVSA-N
Smiles NC1=NC(=O)\C(=C\2/CCNC(=O)c3[nH]c(Br)cc23)\N1
InChI
InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H10BrN5O2
Molecular Weight 324.13
AlogP -0.01
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Polar Surface Area 112.37
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK5 subfamily
- 30 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 10 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 10-30 - - -

Cross References

Resources Reference
ChEMBL CHEMBL361708
FDA SRS 5WMS4GA67M
PubChem 3035462
SureChEMBL SCHEMBL24393900
ZINC ZINC17175232
CONTENTS