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Compound Detail

CHEMBL4216312

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CCN(CC)CCc1ccc(NC(=O)c2ccc(O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4216312
Phase Preclinical
Structure Type MOL
InChI Key ISNIDISSAPBKNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
3.53
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2O2
MW 312.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.05

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