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Compound Detail

CHEMBL390079

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N#Cc1ccc(N(Cc2ccc(F)c(O)c2)n2cnnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390079
Phase Preclinical
Structure Type MOL
InChI Key DXFARUZXEUTFAT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
2.46
ALogP
6
HBA
1
HBD
78.0
PSA (Ų)
0.80
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 C16H12FN5O
MW 309.30
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 9.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aromatase
CHEMBL1978
 IC50 9.22 9.22 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aromatase IC50 = 0.6 nM 9.22 Inhibition of aromatase in JEG3 cell membrane 17580845

Literature References

PubMed DOI Target Context # Activities
17580845 10.1021/jm061462b Aromatase 1

Data from ChEMBL 36 via Core Engine