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Compound Detail

CHEMBL5574855

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COc1ccc2[nH]cc(CCNC(=O)NC3(C(=O)Nc4ccc(Br)cc4)CCCCC3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5574855
Phase Preclinical
Structure Type MOL
InChI Key JYGXMLSQXJFHRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

513.4
MW (Da)
5.12
ALogP
3
HBA
4
HBD
95.2
PSA (Ų)
0.35
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29BrN4O3
MW 513.44
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.04

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