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Compound Detail

CHEMBL5430706

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Cc1cc(C(N)=O)c(-c2cccc(OC(=O)N(C)C3CCN(CCc4ccccc4)CC3)c2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5430706
Phase Preclinical
Structure Type MOL
InChI Key NBZRZWWWVJGAHH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

477.6
MW (Da)
4.96
ALogP
5
HBA
1
HBD
75.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31N3O3S
MW 477.63
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.23

Activity Summary

IC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
 IC50 5.07 5.07 8450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 8450.0 nM 5.07 Inhibition of human recombinant FAAH using AMC-AA as substrate preincubated for ... 36462439

Literature References

PubMed DOI Target Context # Activities
36462439 10.1016/j.ejmech.2022.114952 Fatty-acid amide hydrolase 1 1
36462439 10.1016/j.ejmech.2022.114952 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine