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Compound Detail

CHEMBL4792896

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C[C@H](NC(=O)Cn1nc2c(NCC(F)F)ccnn2c1=O)c1ccc(OC(F)(F)F)cc1

Basic Information

ChEMBL ID CHEMBL4792896
Phase Preclinical
Structure Type MOL
InChI Key JZXTXRQFIPRKQR-JTQLQIEISA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.4
MW (Da)
2.34
ALogP
8
HBA
2
HBD
102.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17F5N6O3
MW 460.36
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.90

Activity Summary

EC50 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Probable G-protein coupled receptor 139
CHEMBL3632455
EC50 9.0 9.0 1.0 1
Probable G-protein coupled receptor 139
CHEMBL4888453
EC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine