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Compound Detail

CHEMBL5880928

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O=C(NO)c1cccc2c1CC1(CCN(Cc3ccccc3OC(F)(F)F)C1=O)C2

Basic Information

ChEMBL ID CHEMBL5880928
Phase Preclinical
Structure Type MOL
InChI Key ZLEGUDJIMXXKMN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
3.22
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F3N2O4
MW 420.39
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.61

Activity Summary

IC50 2 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone deacetylase 11
CHEMBL3310
IC50 6.12 6.12 750.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine