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Compound Detail

CHEMBL1630275

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CO[C@H]1CCC[C@@]2(CO)C1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

Basic Information

ChEMBL ID CHEMBL1630275
Phase Preclinical
Structure Type MOL
InChI Key XYTIMWXLVRWAHO-FHSQRROHSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

318.5
MW (Da)
3.51
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30O3
MW 318.46
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 2.58

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
20926163 10.1016/j.ejmech.2010.09.011 Aromatase 2
11708928 10.1021/jm010282t Aromatase 1
33017749 10.1016/j.ejmech.2020.112845 Aromatase 1

Data from ChEMBL 36 via Core Engine