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Compound Detail

CHEMBL4556838

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O=C(NCc1ccc(Cl)cc1)[C@@]1(O)CCN(c2ccccc2)C1=O

Basic Information

ChEMBL ID CHEMBL4556838
Phase Preclinical
Structure Type MOL
InChI Key QFTHJWPUKORXPM-SFHVURJKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.8
MW (Da)
2.12
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.83
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 C18H17ClN2O3
MW 344.80
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 2
CHEMBL3922
IC50 5.28 5.28 5300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30939017 10.1021/acs.jmedchem.9b00041 Methionine aminopeptidase 2 1
30939017 10.1021/acs.jmedchem.9b00041 HUVEC 1

Data from ChEMBL 36 via Core Engine