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Compound Detail

CHEMBL5595759

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COc1ccc2[nH]cc(CCNC(=O)NC3(C(=O)Nc4cccc(Br)c4)CCCCC3)c2c1

Basic Information

ChEMBL ID CHEMBL5595759
Phase Preclinical
Structure Type MOL
InChI Key RRYHYLHHPQYNNA-UHFFFAOYSA-N
1
Targets
1
Activities
1
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 -1.11

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 5.62 5.62 2370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 2370.0 nM 5.62 Inhibition of human FAAH by fluorescence-based cayman assay 38325006

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