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Compound Detail

CHEMBL5665367

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C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CN2

Basic Information

ChEMBL ID CHEMBL5665367
Phase Preclinical
Structure Type MOL
InChI Key DFIKCNHQDMMSAC-OXHMUOHRSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

203.3
MW (Da)
1.81
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17NO
MW 203.28
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 1.88

Activity Summary

EC50 2 meas. best 4.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mas-related G-protein coupled receptor member X2
CHEMBL5849
EC50 4.87 4.855 13489.6 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28288109 10.1038/nchembio.2334 Mas-related G-protein coupled receptor member X2 4

Data from ChEMBL 36 via Core Engine