PEMRAMETOSTAT

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Synonyms
Status
Molecule Category Free-form
UNII VXT8SZ6875

Structure

InChI Key JLCCNYVTIWRPIZ-NRFANRHFSA-N
Smiles CC(=O)N1CCC(Nc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ncn2)CC1
InChI
InChI=1S/C24H32N6O3/c1-17(31)30-10-7-20(8-11-30)28-23-12-22(26-16-27-23)24(33)25-13-21(32)15-29-9-6-18-4-2-3-5-19(18)14-29/h2-5,12,16,20-21,32H,6-11,13-15H2,1H3,(H,25,33)(H,26,27,28)/t21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H32N6O3
Molecular Weight 452.56
AlogP 1.05
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 110.69
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Reader Methyl-lysine/arginine binding protein WDR domain
- 6.2 - - -
Epigenetic regulator Writer Protein methyltransferase Protein arginine methyltransferase
- 6.2-12 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 6.2-237 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4466233
FDA SRS VXT8SZ6875
SureChEMBL SCHEMBL15825290
ZINC ZINC000220119494
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