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Compound Detail

CHEMBL4100764

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COC(=O)c1ccc2[nH]cc(Cc3c[nH]c4ccc(C(=O)OC)cc34)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4100764
Phase Preclinical
Structure Type MOL
InChI Key BPLKUPGRQZBQAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
3.81
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O4
MW 362.39
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
28406627 10.1021/acs.jmedchem.6b01593 G-protein coupled receptor 84 4
28406627 10.1021/acs.jmedchem.6b01593 Free fatty acid receptor 4 2
28406627 10.1021/acs.jmedchem.6b01593 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine