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Compound Detail

CHEMBL5566958

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O=C(NCCc1c[nH]c2ccccc12)NC1(C(=O)Nc2ccc(F)cc2)CCCCC1

Basic Information

ChEMBL ID CHEMBL5566958
Phase Preclinical
Structure Type MOL
InChI Key DRGHOKWIQHZAGN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
4.49
ALogP
2
HBA
4
HBD
86.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27FN4O2
MW 422.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 6.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
IC50 6.88 6.88 130.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38325006 10.1016/j.ejmech.2024.116208 Transient receptor potential cation channel subfamily V member 1 1
38325006 10.1016/j.ejmech.2024.116208 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine