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Compound Detail

CHEMBL4743202

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COc1cc2c(cc1OC)-c1cc(OCC3CCOC3)nc(=O)n1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4743202
Phase Preclinical
Structure Type MOL
InChI Key PACQOXIFTCZMBE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
1.90
ALogP
7
HBA
0
HBD
71.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N2O5
MW 358.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.24

Literature References

PubMed DOI Target Context # Activities
32902984 10.1021/acs.jmedchem.0c00272 G-protein coupled receptor 84 1

Data from ChEMBL 36 via Core Engine