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Compound Detail

CHEMBL4435198

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C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)CCC12

Basic Information

ChEMBL ID CHEMBL4435198
Phase Preclinical
Structure Type MOL
InChI Key HRYLQFBHBWLLLL-XOUVJIAUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
3.55
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.36
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 C15H20O2
MW 232.32
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 3.38

Activity Summary

EC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 46
CHEMBL4523253
EC50 5.07 5.07 8600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Taste receptor type 2 member 46 EC50 = 8600.0 nM 5.07 Activity at recombinant human N-terminal rat ST3 receptor-fused TAS2R46 expresse... -

Data from ChEMBL 36 via Core Engine