Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5178928

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cccc(CC(=O)N(C)C2CCCc3ccc(N(C)S(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)cc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5178928
Phase Preclinical
Structure Type MOL
InChI Key NEWOFRHQMWVOCQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

655.8
MW (Da)
5.98
ALogP
6
HBA
0
HBD
96.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H41N3O6S
MW 655.82
Aromatic Rings 4
Heavy Atoms 47
NP-Likeness -1.18

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