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Compound Detail

CHEMBL4446651

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CC(=O)O[C@H]1C/C=C(\C)CCC2[C@H](C)C(=O)O[C@@H]2/C=C/1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4446651
Phase Preclinical
Structure Type MOL
InChI Key GYXQQENGZKKHNQ-DBMSJDPXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
3.17
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.55
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 C17H24O4
MW 292.38
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 3.14

Activity Summary

EC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 46
CHEMBL4523253
 EC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Taste receptor type 2 member 46 EC50 = 1100.0 nM 5.96 Activity at recombinant human N-terminal rat ST3 receptor-fused TAS2R46 expresse... -

Data from ChEMBL 36 via Core Engine