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Compound Detail

CHEMBL5755050

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COc1cc(CO)c(-c2cn3ccc(N4CCN(CCC(N)=O)CC4)cc3n2)cc1Cl

Basic Information

ChEMBL ID CHEMBL5755050
Phase Preclinical
Structure Type MOL
InChI Key UNELVTNUAQHRPG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.9
MW (Da)
2.15
ALogP
7
HBA
2
HBD
96.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26ClN5O3
MW 443.94
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 8.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase SUV39H2
CHEMBL1795177
IC50 8.34 8.34 4.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine