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Compound Detail

CHEMBL6002706

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COc1cc(CO)c(-c2cn3cc(NCCN)c(N4CCOCC4)cc3n2)cc1Cl

Basic Information

ChEMBL ID CHEMBL6002706
Phase Preclinical
Structure Type MOL
InChI Key OBJJRRRMQCSKIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.9
MW (Da)
2.36
ALogP
8
HBA
3
HBD
97.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClN5O3
MW 431.92
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 8.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase SUV39H2
CHEMBL1795177
IC50 8.47 8.47 3.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine