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

CHEMBL4524588

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

Basic Information

ChEMBL ID CHEMBL4524588
Phase Preclinical
Structure Type MOL
InChI Key IPCRBOOJBPETMF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

118.2
MW (Da)
-0.63
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C3H6N2OS
MW 118.16
Aromatic Rings 0
Heavy Atoms 7
NP-Likeness -1.40

Activity Summary

EC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 38
CHEMBL4523248
EC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Taste receptor type 2 member 38 EC50 = 15000.0 nM 4.82 Activity at human TAS2R38 expressed in HEK-293T-Galpha16-gustducin44 cells asses... -

Data from ChEMBL 36 via Core Engine