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Compound Detail

CHEMBL5527916

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C[C@H]1CC[C@@](NC(=O)c2cccc(OCc3cccnc3)c2)(C(=O)O)CC1

Basic Information

ChEMBL ID CHEMBL5527916
Phase Preclinical
Structure Type MOL
InChI Key DNMUUNWWSAPZBF-WEHONNDLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
3.42
ALogP
4
HBA
2
HBD
88.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2O4
MW 368.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.97

Activity Summary

EC50 2 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Probable G-protein coupled receptor 132
CHEMBL3085618
EC50 4.88 4.88 13182.6 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38917049 10.1021/acs.jmedchem.3c02164 Probable G-protein coupled receptor 132 3
38917049 10.1021/acs.jmedchem.3c02164 Guanine nucleotide-binding protein subunit alpha-11 1

Data from ChEMBL 36 via Core Engine