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Compound Detail

CHEMBL245576

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C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H]5C(=O)CC[C@@]43C[C@H]5O)[C@@H]1CC[C@@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL245576
Phase Preclinical
Structure Type MOL
InChI Key NOOXMSAWFFPGAB-KVLWCCCJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
2.85
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28O3
MW 316.44
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 2.51

Literature References

PubMed DOI Target Context # Activities
17448656 10.1016/j.bmcl.2006.12.053 Unchecked 3
17448656 10.1016/j.bmcl.2006.12.053 Estrogen receptor 2
17448656 10.1016/j.bmcl.2006.12.053 Estrogen receptor beta 2
17448656 10.1016/j.bmcl.2006.12.053 Androgen receptor 1

Data from ChEMBL 36 via Core Engine