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Compound Detail

CHEMBL4205207

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CC(=O)Nc1cccc(-c2cc(O)ccc2C(=O)NCCc2ccc(C(C)(C)C)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4205207
Phase Preclinical
Structure Type MOL
InChI Key CNBSMIUULNSCCM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
5.29
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N2O3
MW 430.55
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.85

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