Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4879282

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(C[C@H](NC(=O)c2cc3c(F)cccc3[nH]2)C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL4879282
Phase Preclinical
Structure Type MOL
InChI Key OBCYWNASNKEVGW-KRWDZBQOSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
2.74
ALogP
3
HBA
3
HBD
91.4
PSA (Ų)
0.63
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 C19H17FN2O4
MW 356.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.71

Activity Summary

Kd 2 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Albumin
CHEMBL3253
Kd 6.37 6.37 430.0 1
Interleukin-2
CHEMBL5880
Kd 5.89 5.89 1300.0 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