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Compound Detail

CHEMBL4760031

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COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4760031
Phase Preclinical
Structure Type MOL
InChI Key RCYJTVNVNLWWDY-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

475.5
MW (Da)
4.70
ALogP
6
HBA
0
HBD
78.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H22FNO6
MW 475.47
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.57

Literature References

PubMed DOI Target Context # Activities
32977721 10.1021/acs.jmedchem.0c00964 Orexin/Hypocretin receptor type 1 1
32977721 10.1021/acs.jmedchem.0c00964 Unchecked 1

Data from ChEMBL 36 via Core Engine