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Compound Detail

CHEMBL5821250

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COc1cc(CO)c(-c2cn3ccc(N4CCC(NC(C)=O)CC4)cc3n2)cc1Cl

Basic Information

ChEMBL ID CHEMBL5821250
Phase Preclinical
Structure Type MOL
InChI Key OQBKRLLZZWIXHY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.9
MW (Da)
3.26
ALogP
6
HBA
2
HBD
79.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25ClN4O3
MW 428.92
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 8.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase SUV39H2
CHEMBL1795177
IC50 8.48 8.48 3.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine