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Compound Detail

CHEMBL5185842

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COc1cc(F)c([C@@H]2CNC(=O)[C@H]2c2nc3cc(Cl)cnc3[nH]2)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5185842
Phase Preclinical
Structure Type MOL
InChI Key ZIHVZUJKJMKXIT-LKFCYVNXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.8
MW (Da)
2.90
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClF2N4O2
MW 378.77
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.71

Activity Summary

EC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 40.0 nM 7.4 Agonist activity at human FPR2 overexpressing CHO cells assessed as reduction in... 35707160

Literature References

PubMed DOI Target Context # Activities
35707160 10.1021/acsmedchemlett.2c00079 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine