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Compound Detail

CHEMBL4211525

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O=C(NCCN1CCOCC1)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4211525
Phase Preclinical
Structure Type MOL
InChI Key SNBVZWGTRKSYQP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
0.45
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N2O3
MW 250.30
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.40

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