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Compound Detail

CHEMBL377163

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CSc1ccc(NC(=O)Nc2c(C(C)C)n(C)n(C3=NCCS3)c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377163
Phase Preclinical
Structure Type MOL
InChI Key AILRBWXTHGHPIV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.6
MW (Da)
3.63
ALogP
7
HBA
2
HBD
80.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N5O2S2
MW 405.55
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.60

Activity Summary

EC50 1 meas. best 5.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 5.29 5.29 5130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 5130.0 nM 5.29 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