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Compound Detail

CHEMBL469259

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COC(=O)c1cc(-c2ccnc3ccccc23)c2ncc(-c3ccc(OC)cc3)cn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL469259
Phase Preclinical
Structure Type MOL
InChI Key ODHYIKPFXHOOSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
5.01
ALogP
6
HBA
0
HBD
65.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19N3O3
MW 409.45
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.65

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