ONVANSERTIB

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Synonyms
Status
Molecule Category Free-form
UNII 67RM91WDHQ

Structure

InChI Key QHLVBNKYJGBCQJ-UHFFFAOYSA-N
Smiles CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1
InChI
InChI=1S/C24H27F3N8O3/c1-33-6-8-34(9-7-33)15-3-5-18(38-24(25,26)27)17(12-15)30-23-29-13-14-2-4-16-20(22(28)37)32-35(10-11-36)21(16)19(14)31-23/h3,5,12-13,36H,2,4,6-11H2,1H3,(H2,28,37)(H,29,30,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H27F3N8O3
Molecular Weight 532.53
AlogP 1.92
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 134.66
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 38.0

Pharmacology

Mechanism of Action Action Reference
Serine/threonine-protein kinase PLK1 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase MELK subfamily
- 744 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- 2 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 510 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 42 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1738758
DrugBank DB15110
FDA SRS 67RM91WDHQ
Guide to Pharmacology 7918
PDB 937
PubChem 49792852
SureChEMBL SCHEMBL1228019
ZINC ZINC000043196885
CONTENTS