TAK-960

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Synonyms
Status
Molecule Category Free-form
UNII 3831VFM1ZB

Structure

InChI Key GWRSATNRNFYMDI-UHFFFAOYSA-N
Smiles COc1cc(C(=O)NC2CCN(C)CC2)c(F)cc1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
InChI
InChI=1S/C27H34F3N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H34F3N7O3
Molecular Weight 561.61
AlogP 3.55
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 102.93
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 40.0

Pharmacology

Mechanism of Action Action Reference
Serine/threonine-protein kinase PLK1 inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase PLK family
- 2 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
3 2 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2392545
FDA SRS 3831VFM1ZB
PDB 1J4
PubChem 53357478
SureChEMBL SCHEMBL1560793
ZINC ZINC000043203898
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