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Compound Detail

CHEMBL4553094

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Cc1cc2cc(N3CC[C@](O)(C(=O)NCc4cc(F)cc(Cl)c4)C3=O)ccc2[nH]1

Basic Information

ChEMBL ID CHEMBL4553094
Phase Preclinical
Structure Type MOL
InChI Key UGLFUERNEIOGQG-NRFANRHFSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.9
MW (Da)
3.05
ALogP
3
HBA
3
HBD
85.4
PSA (Ų)
0.57
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 C21H19ClFN3O3
MW 415.85
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.33

Activity Summary

IC50 2 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
IC50 7.85 7.425 14.0 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