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Compound Detail

CHEMBL5208504

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COc1cc(F)c([C@@H]2CNC(=O)[C@H]2c2nc3ccccc3[nH]2)c(F)c1

Basic Information

ChEMBL ID CHEMBL5208504
Phase Preclinical
Structure Type MOL
InChI Key WAYYBPOBBZQPQM-MGPLVRAMSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
2.85
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15F2N3O2
MW 343.33
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.48

Activity Summary

EC50 3 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
fMet-Leu-Phe receptor
CHEMBL3359
EC50 8.0 8.0 10.0 1
N-formyl peptide receptor 2
CHEMBL4227
EC50 6.17 6.17 680.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35707160 10.1021/acsmedchemlett.2c00079 N-formyl peptide receptor 2 1
35707160 10.1021/acsmedchemlett.2c00079 fMet-Leu-Phe receptor 1
38199163 10.1016/j.ejmech.2023.115989 fMet-Leu-Phe receptor 1
38199163 10.1016/j.ejmech.2023.115989 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine