PULRODEMSTAT

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W6F4FRQ5QC

Structure
InChI Key NBAIXBAUHIQQGF-UHFFFAOYSA-N
Smile COc1ccc(-c2c(-c3ccc(C#N)c(F)c3)nc(N3CCC(N)CC3)n(C)c2=O)cc1F
InChI
InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H23F2N5O2
Molecular Weight 451.48
AlogP 3.2
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 97.17
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Eraser Lysine demethylase Lysine-specific demethylase
- 0.25-9.3 - - -

Cross References

Resources Reference
ChEMBL CHEMBL4651180
FDA SRS W6F4FRQ5QC
CONTENTS