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Compound Detail

CHEMBL410574

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O=C(CCC(=O)NCC(=O)NCC(=O)Nc1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3)NCC(=O)NCC(=O)NCCCNC(=O)c1cccc2c3c([nH]c12)[C@@H]1Oc2c(O)ccc4c2C12CCN(CC1CC1)C(C4)[C@]2(O)C3

Basic Information

ChEMBL ID CHEMBL410574
Phase Preclinical
Structure Type MOL
InChI Key CNARWILCWMYNRT-IDKCPQTQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1254.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C68H75N11O13
MW 1254.41

Activity Summary

Ki 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Opioid receptor
CHEMBL2095192
Ki 6.7 6.7 199.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Opioid receptor Ki = 199.0 nM 6.7 Compound was tested for binding affinity on intact HEK cells using [3H]diprenorp... 15163177

Literature References

PubMed DOI Target Context # Activities
15163177 10.1021/jm0342358 Mus musculus 3
15163177 10.1021/jm0342358 Opioid receptor 2

Data from ChEMBL 36 via Core Engine