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Compound Detail

CHEMBL124942

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OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124942
Phase Preclinical
Structure Type MOL
InChI Key FUIFWIQDRYVTCH-UHFFFAOYSA-N
0
Targets
8
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.24
ALogP
3
HBA
1
HBD
38.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O
MW 314.39
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.91

Activity Summary

IC50 8 meas.

Literature References

PubMed DOI Target Context # Activities
17988878 10.1016/j.bmc.2007.10.070 Platelet 5
11606139 10.1021/jm010001h Unchecked 4
33049608 10.1016/j.ejmech.2020.112893 Unchecked 4

Data from ChEMBL 36 via Core Engine