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Compound Detail

CHEMBL467543

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COc1ccc(-c2cnc3c(-c4ccnc5ccccc45)ccn3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467543
Phase Preclinical
Structure Type MOL
InChI Key YGMWMMIHWKXWMV-UHFFFAOYSA-N
0
Targets
0
Activities
0
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 -0.77

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