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Compound Detail

CHEMBL5590520

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O=C(/C=C/c1ccc(O)c(Cl)c1)NCCCN1CCc2cc(Cl)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5590520
Phase Preclinical
Structure Type MOL
InChI Key YNAMSSHRDDZNCM-XVNBXDOJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)
4.28
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20Cl2N2O2
MW 391.30
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
 IC50 5.44 5.44 3650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 3650.0 nM 5.44 Antiinflammatory activity in LPS-induced mouse RAW264.7 cells assessed as inhibi... 37976711

Literature References

PubMed DOI Target Context # Activities
37976711 10.1016/j.ejmech.2023.115936 RAW264.7 4

Data from ChEMBL 36 via Core Engine