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Compound Detail

CHEMBL1256104

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COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)/C=C/CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1256104
Phase Preclinical
Structure Type MOL
InChI Key WEKIKGYYMZLIHT-CTMVVQSOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

644.5
MW (Da)
8.97
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29F13O2
MW 644.51
Aromatic Rings 1
Heavy Atoms 43
NP-Likeness 0.65

Literature References

PubMed DOI Target Context # Activities
20812681 10.1021/jm100563h Mineralocorticoid receptor 2
20812681 10.1021/jm100563h Glucocorticoid receptor 2
20812681 10.1021/jm100563h Estrogen receptor beta 2
20812681 10.1021/jm100563h Estrogen receptor 2

Data from ChEMBL 36 via Core Engine