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Compound Detail

CHEMBL5272335

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Cc1cncc2c1CC1c3[nH]c4ccccc4c3CCN1C2=O

Basic Information

ChEMBL ID CHEMBL5272335
Phase Preclinical
Structure Type MOL
InChI Key ZGSRUJATIDDFJU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.17
ALogP
2
HBA
1
HBD
49.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O
MW 303.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.21

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAW264.7 IC50 = 1300.0 nM 5.89 Inhibition of NO production in LPS-stimulated mouse RAW264.7 cells incubated for... 33454546

Literature References

PubMed DOI Target Context # Activities
33454546 10.1016/j.ejmech.2021.113165 RAW264.7 1

Data from ChEMBL 36 via Core Engine