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Compound Detail

CHEMBL5186945

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COc1cccc(CC(=O)N(C)C2CCCc3ccc(NC(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5186945
Phase Preclinical
Structure Type MOL
InChI Key HZHQVVVRIHQCGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

605.7
MW (Da)
6.40
ALogP
5
HBA
1
HBD
88.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H39N3O5
MW 605.74
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
35051577 10.1016/j.bmcl.2022.128555 Orexin/Hypocretin receptor type 1 1
35051577 10.1016/j.bmcl.2022.128555 Orexin receptor type 2 1

Data from ChEMBL 36 via Core Engine