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Compound Detail

CHEMBL3962561

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CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccc(C#N)cc2)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3962561
Phase Preclinical
Structure Type MOL
InChI Key FTWCVCZSIXOVNG-LXCLTORNSA-N
Parent Compound CHEMBL3990898
Active Moiety CHEMBL3990898
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.6
MW (Da)
5.23
ALogP
4
HBA
1
HBD
56.5
PSA (Ų)
0.45
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 C28H31ClN2O2
MW 463.02
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.54

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