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Compound Detail

CHEMBL6030464

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O=C(NCc1ccc(C(F)(F)F)cc1N1CCCCC1)Nc1cccc2[nH]c(=O)[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6030464
Phase Preclinical
Structure Type MOL
InChI Key ILFYSMXXQODUJS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.4
MW (Da)
4.19
ALogP
3
HBA
4
HBD
93.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22F3N5O2
MW 433.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 9.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL5102
 IC50 9.29 9.29 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transient receptor potential cation channel subfamily V member 1 IC50 = 0.51 nM 9.29 calcium assay: Capsaicin (0.3 μM) caused an increase in [Ca2+] in the vast major... -

Data from ChEMBL 36 via Core Engine