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Compound Detail

CHEMBL3797772

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O=C(Oc1ccc(Cl)cc1)N1CCN(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1

Basic Information

ChEMBL ID CHEMBL3797772
Phase Preclinical
Structure Type MOL
InChI Key HJDLHYZNKLJIML-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.0
MW (Da)
4.98
ALogP
7
HBA
0
HBD
67.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21ClN4O3S
MW 468.97
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.42

Activity Summary

IC50 1 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 11.0 11.0 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27130358 10.1016/j.bmcl.2016.02.061 Fatty-acid amide hydrolase 1 3

Data from ChEMBL 36 via Core Engine