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Compound Detail

CHEMBL185219

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CC1(C)OC[C@H](NC(=O)Nc2c(Cl)cccc2Cl)[C@H](c2ccccc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185219
Phase Preclinical
Structure Type MOL
InChI Key QFCGCVSSBVHZEP-RDJZCZTQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

395.3
MW (Da)
5.01
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.77
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20Cl2N2O3
MW 395.29
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
15261275 10.1016/j.bmcl.2004.06.032 Orexin receptor type 2 1
15261275 10.1016/j.bmcl.2004.06.032 Orexin/Hypocretin receptor type 1 1
15261275 10.1016/j.bmcl.2004.06.032 Unchecked 1
19199652 10.1021/jm801296d Orexin/Hypocretin receptor type 1 1
19199652 10.1021/jm801296d Orexin receptor type 2 1
19199652 10.1021/jm801296d Unchecked 1

Data from ChEMBL 36 via Core Engine