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Compound Detail

CHEMBL6012660

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O=C(NO)c1cccc2c1CC1(CC2)CCN(Cc2ccc(C(F)(F)F)cc2)C1=O

Basic Information

ChEMBL ID CHEMBL6012660
Phase Preclinical
Structure Type MOL
InChI Key RQPGXOVMPZRRIR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

418.4
MW (Da)
3.73
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21F3N2O3
MW 418.42
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.79

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