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Compound Detail

CHEMBL5435611

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CC#CC(=O)NC1CN(C2=C(Cl)C(=O)c3ncccc3C2=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5435611
Phase Preclinical
Structure Type MOL
InChI Key DOYQVMPICFMBAO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.7
MW (Da)
0.73
ALogP
5
HBA
1
HBD
79.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12ClN3O3
MW 329.74
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.11

Activity Summary

IC50 1 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase NSD2
CHEMBL3108645
 IC50 6.23 6.23 590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone-lysine N-methyltransferase NSD2 IC50 = 590.0 nM 6.23 Inhibition of recombinant human NSD2 (941 to 1240 residues) using SAM as substra... 36642961

Literature References

PubMed DOI Target Context # Activities
36642961 10.1021/acs.jmedchem.2c01920 Histone-lysine N-methyltransferase NSD2 1

Data from ChEMBL 36 via Core Engine