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Compound Detail

CHEMBL512294

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c1ccc2c(-c3cnn4cccnc34)ccnc2c1

Basic Information

ChEMBL ID CHEMBL512294
Phase Preclinical
Structure Type MOL
InChI Key TWMAPZXJXKGZOT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.94
ALogP
4
HBA
0
HBD
43.1
PSA (Ų)
0.52
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 C15H10N4
MW 246.27
Aromatic Rings 4
Heavy Atoms 19
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bone morphogenetic protein 4
CHEMBL5350
IC50 5.3 5.3 5000.0 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