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Compound Detail

CHEMBL5917854

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COc1cc(CO)c(-c2cn3ccc(N4CCN(P(=O)(CO)OC)CC4)cc3n2)cc1Cl

Basic Information

ChEMBL ID CHEMBL5917854
Phase Preclinical
Structure Type MOL
InChI Key RNYMQHJKKJPKNH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.9
MW (Da)
3.07
ALogP
8
HBA
2
HBD
99.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26ClN4O5P
MW 480.89
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 8.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase SUV39H2
CHEMBL1795177
IC50 8.75 8.75 1.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine