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Compound Detail

CHEMBL5204400

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CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CN3CC2CC2)[C@H]1O5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5204400
Phase Preclinical
Structure Type MOL
InChI Key KBONDQAPWGZRSW-XZKAXSOVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
2.70
ALogP
6
HBA
2
HBD
86.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30N2O5
MW 462.55
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 1.22

Literature References

PubMed DOI Target Context # Activities
35007722 10.1016/j.bmcl.2022.128527 Mu-type opioid receptor 1
35007722 10.1016/j.bmcl.2022.128527 Kappa-type opioid receptor 1
35007722 10.1016/j.bmcl.2022.128527 Delta-type opioid receptor 1

Data from ChEMBL 36 via Core Engine