TAZEMETOSTAT

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Synonyms
Status
Molecule Category Free-form
UNII Q40W93WPE1

Structure

InChI Key NSQSAUGJQHDYNO-UHFFFAOYSA-N
Smiles CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
InChI
InChI=1S/C34H44N4O4/c1-5-38(29-10-14-41-15-11-29)32-20-28(27-8-6-26(7-9-27)22-37-12-16-42-17-13-37)19-30(25(32)4)33(39)35-21-31-23(2)18-24(3)36-34(31)40/h6-9,18-20,29H,5,10-17,21-22H2,1-4H3,(H,35,39)(H,36,40)

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H44N4O4
Molecular Weight 572.75
AlogP 4.73
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 86.9
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 42.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 4 - - -
Epigenetic regulator Writer Protein methyltransferase
5-200 0.34-20 - 2.5 -
Other nuclear protein
- 4 - - -
Transcription factor
- 4 - - -
Unclassified protein
- 2-40 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
5-200 0.34-40 - 2.5 -
Rattus norvegicus
- 4 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3414621
DrugBank DB12887
DrugCentral 5380
FDA SRS Q40W93WPE1
Guide to Pharmacology 7011
PubChem 66558664
SureChEMBL SCHEMBL13276848
ZINC ZINC000100285161
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