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Compound Detail

CHEMBL2024452

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O=C1Nc2ccc(F)cc2C12CC(c1ccc(Br)cc1)=NN2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2024452
Phase Preclinical
Structure Type MOL
InChI Key MQXIUZLBNOJAGS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

360.2
MW (Da)
3.13
ALogP
3
HBA
2
HBD
53.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11BrFN3O
MW 360.19
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.75

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22516672 10.1016/j.bmc.2012.03.044 Prostaglandin G/H synthase 2 2
22516672 10.1016/j.bmc.2012.03.044 Prostaglandin G/H synthase 1 1
22516672 10.1016/j.bmc.2012.03.044 Unchecked 1

Data from ChEMBL 36 via Core Engine