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Compound Detail

CHEMBL6015125

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CCN1CCC[C@H]1CNc1ccc(-c2c(C)cc(C(F)(F)F)cc2O)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6015125
Phase Preclinical
Structure Type MOL
InChI Key PZVYFWJMSOOJBD-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.07
ALogP
5
HBA
2
HBD
61.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23F3N4O
MW 380.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 beta
CHEMBL1909490
 IC50 7.62 7.62 24.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 beta IC50 = 24.1 nM 7.62 IL-1 Secretion Assa: Monocytic THP-1 cells (ATCC: TIB-202) were maintained accor... -

Data from ChEMBL 36 via Core Engine