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Compound Detail

CHEMBL4587543

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CN(C(=O)C1CCN(c2cncnc2-c2ccc(F)cc2)CC1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4587543
Phase Preclinical
Structure Type MOL
InChI Key KWVNBARHUWFOOX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.12
ALogP
4
HBA
0
HBD
49.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23FN4O
MW 354.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.71

Activity Summary

IC50 1 meas. best 8.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholesterol 24-hydroxylase
CHEMBL4523510
 IC50 8.27 8.27 5.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cholesterol 24-hydroxylase IC50 = 5.4 nM 8.27 Inhibitory Assay: For the measurement of CH24H inhibitory activity, using the hu... -

Data from ChEMBL 36 via Core Engine