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Compound Detail

CHEMBL1348043

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O=c1oc2c3c4c(cc2c(C(F)(F)F)c1CCN1CCOCC1)CCCN4CCC3

Basic Information

ChEMBL ID CHEMBL1348043
Phase Preclinical
Structure Type MOL
InChI Key JOVJKMYFWUCQGB-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
3.39
ALogP
5
HBA
0
HBD
45.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25F3N2O3
MW 422.45
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.86

Activity Summary

EC50 3 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mucolipin-3
CHEMBL1293243
EC50 5.34 5.34 4560.0 1
Unchecked
CHEMBL612545
EC50 5.22 5.15 6050.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine