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Compound Detail

CHEMBL2385584

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Cn1cc2c(-c3cnn4cc(-c5ccc(N6CCOCC6)cc5)cnc34)cccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2385584
Phase Preclinical
Structure Type MOL
InChI Key WIJRGIUWBLWHOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.79
ALogP
7
HBA
0
HBD
60.5
PSA (Ų)
0.45
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 C24H22N6O
MW 410.48
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
23639540 10.1016/j.bmcl.2013.03.113 Bone morphogenetic protein 4 1

Data from ChEMBL 36 via Core Engine