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Compound Detail

CHEMBL2371337

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CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2371337
Phase Preclinical
Structure Type BOTH
InChI Key JAKBYSTWCHUQOK-OJJQZRKESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

535.6
MW (Da)
0.80
ALogP
6
HBA
3
HBD
150.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37N5O5
MW 535.65
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.12

Literature References

PubMed DOI Target Context # Activities
8384662 10.1021/jm00058a007 Mu-type opioid receptor 1
8384662 10.1021/jm00058a007 Delta-type opioid receptor 1

Data from ChEMBL 36 via Core Engine