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Compound Detail

CHEMBL6009909

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O=C(NCc1ccc(C(F)(F)F)cc1N1CCCC1)Nc1cccc2[nH]c(=O)[nH]c12

Basic Information

ChEMBL ID CHEMBL6009909
Phase Preclinical
Structure Type MOL
InChI Key GUWJRCUFOIXCMK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
3.80
ALogP
3
HBA
4
HBD
93.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20F3N5O2
MW 419.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL5102
IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine