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Compound Detail

CHEMBL467560

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COc1ccc(-c2ccc3c(-c4ccnc5ccccc45)cnn3c2)cc1

Basic Information

ChEMBL ID CHEMBL467560
Phase Preclinical
Structure Type MOL
InChI Key OSHPCEQPUKKIAZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
5.23
ALogP
4
HBA
0
HBD
39.4
PSA (Ų)
0.45
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 C23H17N3O
MW 351.41
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bone morphogenetic protein 4
CHEMBL5350
IC50 6.82 6.82 150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18621530 10.1016/j.bmcl.2008.06.052 Bone morphogenetic protein 4 1

Data from ChEMBL 36 via Core Engine