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Compound Detail

CHEMBL5397613

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CC(F)(F)C(=O)N1CCC2(CC1)CN(C1=C(Cl)C(=O)c3ncccc3C1=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5397613
Phase Preclinical
Structure Type MOL
InChI Key BYNCITOIAHZHDY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.8
MW (Da)
2.49
ALogP
5
HBA
0
HBD
70.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18ClF2N3O3
MW 409.82
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase NSD2
CHEMBL3108645
 IC50 5.52 5.52 3050.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone-lysine N-methyltransferase NSD2 IC50 = 3050.0 nM 5.52 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