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Compound Detail

CHEMBL4551283

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O=C1CCc2cc(N3CC[C@](O)(C(=O)NCc4cc(F)cc(F)c4F)C3=O)ccc2N1

Basic Information

ChEMBL ID CHEMBL4551283
Phase Preclinical
Structure Type MOL
InChI Key QPHOIJVKSLPKNH-NRFANRHFSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.4
MW (Da)
1.77
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18F3N3O4
MW 433.39
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.10

Activity Summary

IC50 2 meas. best 7.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
IC50 7.36 7.335 44.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31725285 10.1021/acs.jmedchem.9b01070 Methionine aminopeptidase 2 2
31725285 10.1021/acs.jmedchem.9b01070 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine