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Compound Detail

CHEMBL5567044

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COc1ccc(NC(=O)C2(NC(=O)NCCc3c[nH]c4ccc(OC)cc34)CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5567044
Phase Preclinical
Structure Type MOL
InChI Key HLMPDXYUGHGHEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
4.37
ALogP
4
HBA
4
HBD
104.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32N4O4
MW 464.57
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
38325006 10.1016/j.ejmech.2024.116208 Transient receptor potential cation channel subfamily V member 1 1
38325006 10.1016/j.ejmech.2024.116208 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine