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Compound Detail

CHEMBL3969438

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Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C)[C@@H](O)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3969438
Phase Preclinical
Structure Type MOL
InChI Key PYHASHNOJJFSLI-FFOCVCMNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
3.83
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.71
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 C25H30N2O3
MW 406.53
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.74

Literature References

PubMed DOI Target Context # Activities
27919657 10.1016/j.bmcl.2016.11.007 Glucocorticoid receptor 7

Data from ChEMBL 36 via Core Engine