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Compound Detail

CHEMBL3944236

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CN(C)CCOc1ccc(/C(=C(/CCCO)c2cccnc2)c2ccc(Br)cc2)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3944236
Phase Preclinical
Structure Type MOL
InChI Key UUDDNYNDVOQDSG-OQKDUQJOSA-N
Parent Compound CHEMBL3991043
Active Moiety CHEMBL3991043
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.4
MW (Da)
5.52
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30BrClN2O2
MW 517.90
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
27236015 10.1016/j.ejmech.2016.04.076 Estrogen-related receptor gamma 2

Data from ChEMBL 36 via Core Engine