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Compound Detail

CHEMBL5555475

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Cc1cccc(-c2oc(C)nc2C(=O)Nc2cnn(Cc3nc(C(C)(F)F)co3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5555475
Phase Preclinical
Structure Type MOL
InChI Key PBTWPEDVIMHJEO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
3.95
ALogP
8
HBA
1
HBD
111.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18F2N6O3
MW 428.40
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.31

Activity Summary

EC50 1 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 8.62 8.62 2.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 2.4 nM 8.62 Agonist activity at human FPR2 38199163

Literature References

PubMed DOI Target Context # Activities
38199163 10.1016/j.ejmech.2023.115989 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine