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Compound Detail

CHEMBL6001781

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COc1cc(CO)c(-c2cn3ccc(N(C)CCN)cc3n2)cc1Cl

Basic Information

ChEMBL ID CHEMBL6001781
Phase Preclinical
Structure Type MOL
InChI Key BVMSMWWUOWHFNJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.9
MW (Da)
2.55
ALogP
6
HBA
2
HBD
76.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21ClN4O2
MW 360.85
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 8.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase SUV39H2
CHEMBL1795177
IC50 8.23 8.23 5.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine