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Compound Detail

CHEMBL212385

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COC(=O)[C@@H]1C[C@@H](O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212385
Phase Preclinical
Structure Type MOL
InChI Key BLTMVAIOAAGYAR-GKRPYSMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
2.43
ALogP
7
HBA
1
HBD
103.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H26O7
MW 390.43
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 2.88

Literature References

PubMed DOI Target Context # Activities
16777411 10.1016/j.bmcl.2006.05.093 Kappa-type opioid receptor 3

Data from ChEMBL 36 via Core Engine