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Compound Detail

CHEMBL3741065

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COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3741065
Phase Preclinical
Structure Type MOL
InChI Key AGVDSFYCZYCKNF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
3.87
ALogP
6
HBA
0
HBD
62.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19ClN2O4
MW 422.87
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.38

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00027K Orexin/Hypocretin receptor type 1 1
- 10.1039/C5MD00027K Orexin receptor type 2 1
- 10.1039/C5MD00027K Liver microsome 1

Data from ChEMBL 36 via Core Engine