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Compound Detail

CHEMBL5838437

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Cc1nc(N2CCOC(C)(C)C2)c2[nH]c(N)c(S(=O)(=O)c3cccc(F)c3F)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5838437
Phase Preclinical
Structure Type MOL
InChI Key MTKHOZHCFHWVNP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
2.57
ALogP
7
HBA
2
HBD
114.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21F2N5O3S
MW 437.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.34

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