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Compound Detail

CHEMBL382564

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C(=C1c2ccccc2CCc2ccccc21)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL382564
Phase Preclinical
Structure Type MOL
InChI Key VANWUZCCKGBSMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
5.37
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18
MW 282.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.20

Literature References

PubMed DOI Target Context # Activities
16610785 10.1021/jm0508538 Cytochrome P450 2D6 1
24446728 10.1021/jm401616g Progesterone receptor 1
24446728 10.1021/jm401616g Mineralocorticoid receptor 1
24446728 10.1021/jm401616g Androgen receptor 1
24446728 10.1021/jm401616g Glucocorticoid receptor 1

Data from ChEMBL 36 via Core Engine