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Compound Detail

CHEMBL467997

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c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467997
Phase Preclinical
Structure Type MOL
InChI Key NYPRZIZRFTTZLT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
4.93
ALogP
5
HBA
0
HBD
42.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N4O
MW 398.51
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.39

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