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Compound Detail

CHEMBL189285

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O=C(O)CN1N[C@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL189285
Phase Preclinical
Structure Type BOTH
InChI Key DUWKOSCGSPLVIE-KQFVITFDSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

666.7
MW (Da)
1.66
ALogP
7
HBA
6
HBD
184.2
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H38N6O7
MW 666.74
Aromatic Rings 4
Heavy Atoms 49
NP-Likeness 0.43

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
15456262 10.1021/jm0498811 Mu-type opioid receptor 2

Data from ChEMBL 36 via Core Engine