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Compound Detail

CHEMBL2024230

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N#CC(C#N)=Cc1c(C(F)(F)F)nn(-c2ccccc2)c1-c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2024230
Phase Preclinical
Structure Type MOL
InChI Key HIZHSGYULNVIOT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

398.8
MW (Da)
5.64
ALogP
4
HBA
0
HBD
65.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H10ClF3N4
MW 398.77
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.43

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