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Compound Detail

CHEMBL5282369

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O=C(c1nc2ccccc2nc1O)N1CCCC1C(O)c1cccc(Cl)c1

Basic Information

ChEMBL ID CHEMBL5282369
Phase Preclinical
Structure Type MOL
InChI Key FORQANAYPSMAGB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.8
MW (Da)
3.33
ALogP
5
HBA
2
HBD
86.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18ClN3O3
MW 383.83
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.68

Activity Summary

Ki 1 meas. best 5.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty acid-binding protein, adipocyte
CHEMBL2083
Ki 5.15 5.15 7100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28738306 10.1016/j.ejmech.2017.07.022 Fatty acid-binding protein, adipocyte 1

Data from ChEMBL 36 via Core Engine