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Compound Detail

CHEMBL4637281

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O=C(c1sc2cc(C(F)(F)F)ccc2c1Cl)N1CC(N2CC(N3Cc4ccccc4C3=O)C2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4637281
Phase Preclinical
Structure Type MOL
InChI Key JYNMZEDVIPIWOT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

505.9
MW (Da)
4.74
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19ClF3N3O2S
MW 505.95
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
32334914 10.1016/j.bmcl.2020.127198 Monoglyceride lipase 1
32334914 10.1016/j.bmcl.2020.127198 Fatty-acid amide hydrolase 1 1
32334914 10.1016/j.bmcl.2020.127198 Unchecked 1

Data from ChEMBL 36 via Core Engine