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Compound Detail

CHEMBL5765420

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O=C(NCc1ccc(C(F)(F)F)cc1N1CCCCC1)Nc1cccc2oc(=O)[nH]c12

Basic Information

ChEMBL ID CHEMBL5765420
Phase Preclinical
Structure Type MOL
InChI Key BBUOZZNNUZNYTB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

434.4
MW (Da)
4.45
ALogP
4
HBA
3
HBD
90.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21F3N4O3
MW 434.42
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL5102
IC50 8.72 8.72 1.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine