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Compound Detail

CHEMBL4442426

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O=C(NC(C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1)c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4442426
Phase Preclinical
Structure Type MOL
InChI Key OOVFFOGLAXRIKL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
3.16
ALogP
5
HBA
5
HBD
118.9
PSA (Ų)
0.18
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15F3N2O5
MW 432.35
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.57

Activity Summary

Ki 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL1907
 Ki 6.37 6.37 430.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N Ki = 430.0 nM 6.37 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 No relevant target 1
31251594 10.1021/acs.jmedchem.9b00757 Aminopeptidase N 1

Data from ChEMBL 36 via Core Engine