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Compound Detail

CHEMBL1198149

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Cc1ccc(Cn2c(=N)n(CC(O)c3ccc(Cl)c(Cl)c3)c3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198149
Phase Preclinical
Structure Type MOL
InChI Key LQYDYWMFFKKSFD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

426.4
MW (Da)
5.32
ALogP
4
HBA
2
HBD
53.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21Cl2N3O
MW 426.35
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
26045032 10.1016/j.bmcl.2015.05.012 Orexin receptor type 2 1
34101446 10.1021/acs.jmedchem.1c00841 Orexin/Hypocretin receptor type 1 1
34101446 10.1021/acs.jmedchem.1c00841 Orexin receptor type 2 1

Data from ChEMBL 36 via Core Engine