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Compound Detail

CHEMBL4749530

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COc1cc2c(cc1OC)-c1cc(OCCCc3ccccc3)nc(=O)n1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4749530
Phase Preclinical
Structure Type MOL
InChI Key HHGRETKIBFQVPP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
3.50
ALogP
6
HBA
0
HBD
62.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N2O4
MW 392.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
32902984 10.1021/acs.jmedchem.0c00272 G-protein coupled receptor 84 1
32902984 10.1021/acs.jmedchem.0c00272 No relevant target 1

Data from ChEMBL 36 via Core Engine