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Compound Detail

CHEMBL4212179

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O=C(NCCc1ccc(N2CCOCC2)cc1)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4212179
Phase Preclinical
Structure Type MOL
InChI Key RAKREZPCPFNKGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
2.20
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.88
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 C19H22N2O3
MW 326.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
29548571 10.1016/j.bmcl.2018.03.019 Estrogen-related receptor gamma 1

Data from ChEMBL 36 via Core Engine