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Compound Detail

CHEMBL6023190

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CSc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N(CCCN)C(c2ccc(C#N)cc2)C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6023190
Phase Preclinical
Structure Type MOL
InChI Key NXVCYSRQNARCQL-UHFFFAOYSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
5.01
ALogP
5
HBA
3
HBD
111.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27N5O2S
MW 485.61
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.11

Activity Summary

EC50 6 meas. best 8.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
 EC50 8.48 7.52 3.3 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
N-formyl peptide receptor 2 EC50 = 3.3 nM 8.48 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -
N-formyl peptide receptor 2 EC50 = 3.3 nM 8.48 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -
N-formyl peptide receptor 2 EC50 = 2500.0 nM 5.6 FLIPR: HEK-Gα16 cells stably expressing the human FPR2 receptor was utilized. Ce... -

Data from ChEMBL 36 via Core Engine