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Compound Detail

CHEMBL3262890

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COC(=O)c1ccc(C(=O)N2CCN(C(=O)/C=C/c3ccc(OC)cc3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL3262890
Phase Preclinical
Structure Type MOL
InChI Key GAFKEGIATDNNBZ-LFYBBSHMSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
2.48
ALogP
5
HBA
0
HBD
76.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N2O5
MW 408.45
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.57

Activity Summary

IC50 4 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
G-protein coupled receptor 183
CHEMBL3259470
IC50 7.77 7.77 17.0 2
G-protein coupled receptor 183
CHEMBL3259471
IC50 7.75 7.745 18.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24678947 10.1021/jm4019355 G-protein coupled receptor 183 4

Data from ChEMBL 36 via Core Engine