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Compound Detail

CHEMBL490675

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COc1cc2c(cc1OC)C(Cc1ccc(F)c(F)c1)N(CC(=O)NC1CCc3ccccc31)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490675
Phase Preclinical
Structure Type MOL
InChI Key BHSJTVPIBONPNY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
4.93
ALogP
4
HBA
1
HBD
50.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30F2N2O3
MW 492.57
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
19199652 10.1021/jm801296d Orexin/Hypocretin receptor type 1 1
19199652 10.1021/jm801296d Orexin receptor type 2 1

Data from ChEMBL 36 via Core Engine