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Compound Detail

CHEMBL4530853

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Basic Information

ChEMBL ID CHEMBL4530853
Phase Preclinical
Structure Type MOL
InChI Key SKECXRFZFFAANN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

89.2
MW (Da)
0.51
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C3H7NS
MW 89.16
Aromatic Rings 0
Heavy Atoms 5
NP-Likeness -0.46

Activity Summary

EC50 1 meas. best 4.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 38
CHEMBL4523248
EC50 4.26 4.26 55000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Taste receptor type 2 member 38 EC50 = 55000.0 nM 4.26 Activity at human TAS2R38 expressed in HEK-293T-Galpha16-gustducin44 cells asses... -

Data from ChEMBL 36 via Core Engine