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Compound Detail

CHEMBL3980320

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

Basic Information

ChEMBL ID CHEMBL3980320
Phase Preclinical
Structure Type MOL
InChI Key OUYQOJLFEBHIOB-PXIDWENMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.6
MW (Da)
4.22
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.68
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 C26H32N2O3
MW 420.55
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.66

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