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Compound Detail

CHEMBL3706640

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COc1cc2c(cc1OC)[C@@H]1c3cc(OC)c(OC)cc3[C@@H](C2)N(C)[C@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3706640
Phase Preclinical
Structure Type MOL
InChI Key KDHOOJMMEFSELE-UZWKXWHHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
3.78
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27NO4
MW 369.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.85

Literature References

PubMed DOI Target Context # Activities
12502358 10.1021/jm020164l Delta-type opioid receptor 1
12502358 10.1021/jm020164l Kappa-type opioid receptor 1
12502358 10.1021/jm020164l Mu-type opioid receptor 1
12502358 10.1021/jm020164l Unchecked 1

Data from ChEMBL 36 via Core Engine