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Compound Detail

CHEMBL47272

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COc1cccc2c1-c1ccc3c(c1[C@@H]([C@@H]1C=C(C)CCC1)O2)C(C)=CC(C)(C)N3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL47272
Phase Preclinical
Structure Type MOL
InChI Key ZOUVODOOOFQPOC-HFJWLAOPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.6
MW (Da)
7.15
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.54
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31NO2
MW 401.55
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.18

Literature References

PubMed DOI Target Context # Activities
15026058 10.1016/j.bmcl.2004.01.044 Glucocorticoid receptor 5
15026058 10.1016/j.bmcl.2004.01.044 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine