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Compound Detail

CHEMBL5866538

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O=C1COc2c(cccc2NC(=O)NCc2ccc(C(F)(F)F)nc2N2CCCC2)N1

Basic Information

ChEMBL ID CHEMBL5866538
Phase Preclinical
Structure Type MOL
InChI Key WIVOYDWOOOADHP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.4
MW (Da)
3.35
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20F3N5O3
MW 435.41
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.75

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL5102
IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine