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Compound Detail

CHEMBL3890008

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CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(C(=O)Nc5cccnc5C)ccc4[C@H]3[C@H](O)C[C@@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3890008
Phase Preclinical
Structure Type MOL
InChI Key YIYAJJJRXKGJPB-DDWAMLCISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.6
MW (Da)
4.22
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.61
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 C28H32N2O3
MW 444.58
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.69

Literature References

PubMed DOI Target Context # Activities
27919657 10.1016/j.bmcl.2016.11.007 Glucocorticoid receptor 6

Data from ChEMBL 36 via Core Engine