Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL223452

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N#Cc1ccc(C(c2ccc(C#N)cc2)c2cncnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL223452
Phase Preclinical
Structure Type MOL
InChI Key RFVQMQYIYHOBDE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.40
ALogP
4
HBA
0
HBD
73.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12N4
MW 296.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aromatase
CHEMBL1978
 IC50 6.54 6.54 288.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aromatase IC50 = 288.4 nM 6.54 Inhibition of human placental microsome CYP19 16279787

Literature References

PubMed DOI Target Context # Activities
16279787 10.1021/jm058042r Aromatase 1

Data from ChEMBL 36 via Core Engine