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Compound Detail

CHEMBL5748267

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CNc1nc(N2CCOC(C)C2)c2[nH]c(N)c(S(=O)(=O)c3ccccc3F)c2n1

Basic Information

ChEMBL ID CHEMBL5748267
Phase Preclinical
Structure Type MOL
InChI Key GUFZZHYDDQQBDT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
1.78
ALogP
8
HBA
3
HBD
126.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21FN6O3S
MW 420.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.50

Activity Summary

EC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 2
CHEMBL5493
EC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Free fatty acid receptor 2 EC50 = 1.0 nM 9.0 Ca-Flux Functional Assay: GPR43 agonist/PAM activity was determined by measuring... -

Data from ChEMBL 36 via Core Engine