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Compound Detail

CHEMBL376868

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CC(=O)O[C@H]1C[C@@H](c2nnnn2CCC#N)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376868
Phase Preclinical
Structure Type MOL
InChI Key WFZKXTVRLRLDDV-BYDLNXCSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.5
MW (Da)
2.89
ALogP
11
HBA
0
HBD
150.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N5O6
MW 495.54
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 1.50

Literature References

PubMed DOI Target Context # Activities
16945525 10.1016/j.bmcl.2006.08.051 Kappa-type opioid receptor 3

Data from ChEMBL 36 via Core Engine