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Compound Detail

CHEMBL5767596

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CC(=O)N1CCC(Cc2c[nH]nc2-c2ccc3c(c2F)CCC(=O)N3C)CC1

Basic Information

ChEMBL ID CHEMBL5767596
Phase Preclinical
Structure Type MOL
InChI Key FXUGSDDMMZNHRS-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
2.93
ALogP
3
HBA
1
HBD
69.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25FN4O2
MW 384.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.08

Activity Summary

EC50 4 meas. best 10.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 11B2, mitochondrial
CHEMBL2722
EC50 10.92 10.92 0.0 1
Cytochrome P450 11B1, mitochondrial
CHEMBL1908
EC50 9.73 9.54 0.2 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine