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Compound Detail

CHEMBL3742081

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O=C(Nc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1)c1ccc(CN2CCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3742081
Phase Preclinical
Structure Type MOL
InChI Key GORGRRSSRMWPEC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.5
MW (Da)
4.72
ALogP
6
HBA
3
HBD
103.0
PSA (Ų)
0.40
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 C27H24N2O5
MW 456.50
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
26602279 10.1016/j.bmcl.2015.11.026 Receptor-type tyrosine-protein phosphatase S 2

Data from ChEMBL 36 via Core Engine