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Compound Detail

CHEMBL3915698

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Cc1cccc(-c2oc(C)nc2C(=O)Nc2cnn(Cc3nc(C4(O)CC4)co3)n2)c1

Basic Information

ChEMBL ID CHEMBL3915698
Phase Preclinical
Structure Type MOL
InChI Key WGENOZQJJCPCMR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
2.82
ALogP
9
HBA
2
HBD
132.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N6O4
MW 420.43
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.99

Activity Summary

EC50 2 meas. best 8.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
N-formyl peptide receptor 2
CHEMBL4227
EC50 8.12 8.12 7.6 2

Activity Data Samples

Top measurements by pChEMBL value

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