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Compound Detail

CHEMBL341652

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c1ccc(-c2cc3n(c2-c2ccccc2)CCC3)cc1

Basic Information

ChEMBL ID CHEMBL341652
Phase Preclinical
Structure Type MOL
InChI Key AXOJZLBQPIRCQB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

259.4
MW (Da)
4.77
ALogP
1
HBA
0
HBD
4.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N
MW 259.35
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.24

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prostaglandin G/H synthase 2
CHEMBL4321
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11101350 10.1021/jm990965x Prostaglandin G/H synthase 2 1
11101350 10.1021/jm990965x Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine