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Compound Detail

CHEMBL5856367

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Cc1nc(N2CCO[C@H](C(F)(F)F)C2)c2[nH]c(N)c(S(=O)(=O)c3ccc(F)cc3F)c2n1

Basic Information

ChEMBL ID CHEMBL5856367
Phase Preclinical
Structure Type MOL
InChI Key IXXZSRAIVCLCIK-LBPRGKRZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

477.4
MW (Da)
2.73
ALogP
7
HBA
2
HBD
114.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16F5N5O3S
MW 477.42
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.41

Activity Summary

EC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 2
CHEMBL5493
EC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Free fatty acid receptor 2 EC50 = 2.0 nM 8.7 Ca-Flux Functional Assay: GPR43 agonist/PAM activity was determined by measuring... -

Data from ChEMBL 36 via Core Engine