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Compound Detail

CHEMBL5665378

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COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5

Basic Information

ChEMBL ID CHEMBL5665378
Phase Preclinical
Structure Type MOL
InChI Key FQXXSQDCDRQNQE-AGRHKRQWSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.4
MW (Da)
2.42
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO3
MW 311.38
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 2.20

Activity Summary

EC50 2 meas. best 4.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mas-related G-protein coupled receptor member X2
CHEMBL5849
EC50 4.95 4.55 11220.2 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