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Compound Detail

CHEMBL212116

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Cc1c(NC(=O)Nc2ccc(C#N)cc2)c(=O)n(-c2ccccc2)n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212116
Phase Preclinical
Structure Type MOL
InChI Key MBXFSGLROPUBQC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.00
ALogP
5
HBA
2
HBD
91.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5O2
MW 347.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.02

Activity Summary

EC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 5.43 5.43 3700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 3700.0 nM 5.43 Activity at human FPRL1-mediated calcium mobilization in CHO cells 16697190

Literature References

PubMed DOI Target Context # Activities
16697190 10.1016/j.bmcl.2006.04.068 N-formyl peptide receptor 2 1

Data from ChEMBL 36 via Core Engine