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Compound Detail

CHEMBL134573

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O=C(Cc1ccccc1)NCCc1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134573
Phase Preclinical
Structure Type MOL
InChI Key GGGICHWZMLXHLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
2.00
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17NO3
MW 271.32
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
38740144 10.1016/j.bmcl.2024.129788 Amyloid-beta precursor protein 2
7473544 10.1021/jm00021a006 Human immunodeficiency virus type 1 integrase 1
38740144 10.1016/j.bmcl.2024.129788 No relevant target 1
38740144 10.1016/j.bmcl.2024.129788 PC-12 1

Data from ChEMBL 36 via Core Engine