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Compound Detail

CHEMBL4875916

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O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1cc2c(F)cccc2[nH]1

Basic Information

ChEMBL ID CHEMBL4875916
Phase Preclinical
Structure Type MOL
InChI Key VAWBWOQZJQZGBC-FQEVSTJZSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
3.89
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.49
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 C22H17FN2O3
MW 376.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.63

Activity Summary

Kd 2 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Albumin
CHEMBL3253
Kd 7.52 7.52 30.0 1
Interleukin-2
CHEMBL5880
Kd 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34821503 10.1021/acs.jmedchem.1c01693 Interleukin-2 1
34821503 10.1021/acs.jmedchem.1c01693 Albumin 1

Data from ChEMBL 36 via Core Engine