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Compound Detail

CHEMBL4475350

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O=C(O)CC(=O)NC(C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1

Basic Information

ChEMBL ID CHEMBL4475350
Phase Preclinical
Structure Type MOL
InChI Key WTLCDWFZFNAAAA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.3
MW (Da)
1.91
ALogP
4
HBA
4
HBD
115.7
PSA (Ų)
0.26
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13F3N2O5
MW 382.29
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.69

Activity Summary

Ki 1 meas. best 6.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL1907
Ki 6.73 6.73 188.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N Ki = 188.0 nM 6.73 Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) ce... 31251594

Literature References

PubMed DOI Target Context # Activities
31251594 10.1021/acs.jmedchem.9b00757 Aminopeptidase N 1

Data from ChEMBL 36 via Core Engine