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Compound Detail

CHEMBL3981543

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CN(C)CCOc1ccc(/C(=C(/CCCO)c2ccccc2)c2ccncc2)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3981543
Phase Preclinical
Structure Type MOL
InChI Key KWKOQPGSLSDWAH-BTKVJIOYSA-N
Parent Compound CHEMBL3990246
Active Moiety CHEMBL3990246
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
4.75
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H31ClN2O2
MW 439.00
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.40

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