Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5808688

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1nc(OC(C)C)c2[nH]c(N)c(S(=O)(=O)c3ccccc3)c2n1

Basic Information

ChEMBL ID CHEMBL5808688
Phase Preclinical
Structure Type MOL
InChI Key HIENHCNRRPMKDA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.47
ALogP
6
HBA
2
HBD
111.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N4O3S
MW 346.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.28

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