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Compound Detail

CHEMBL5802370

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COc1cc(CO)c(-c2cn3ccc(N4CCCC4)cc3n2)cc1Cl

Basic Information

ChEMBL ID CHEMBL5802370
Phase Preclinical
Structure Type MOL
InChI Key OXIZANWHLFEAJL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

357.8
MW (Da)
3.76
ALogP
5
HBA
1
HBD
50.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20ClN3O2
MW 357.84
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 8.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase SUV39H2
CHEMBL1795177
IC50 8.51 8.51 3.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine