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Compound Detail

CHEMBL502760

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CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CCc2ccccc2)[C@H]1O5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL502760
Phase Preclinical
Structure Type MOL
InChI Key YUQGCBAHIKMCSJ-LTMDYEENSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

526.6
MW (Da)
3.92
ALogP
6
HBA
2
HBD
86.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H34N2O5
MW 526.63
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 1.13

Literature References

PubMed DOI Target Context # Activities
18829333 10.1016/j.bmc.2008.09.011 Kappa-type opioid receptor 1
18829333 10.1016/j.bmc.2008.09.011 Mus musculus 1

Data from ChEMBL 36 via Core Engine