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Compound Detail

CHEMBL5976455

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COc1cc(CO)c(-c2cn3ccc(N4CCC(CO)CC4)cc3n2)cc1Cl

Basic Information

ChEMBL ID CHEMBL5976455
Phase Preclinical
Structure Type MOL
InChI Key SXZHMVJNNUIZTK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

401.9
MW (Da)
3.36
ALogP
6
HBA
2
HBD
70.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClN3O3
MW 401.89
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 8.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase SUV39H2
CHEMBL1795177
IC50 8.27 8.27 5.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine