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Compound Detail

CHEMBL5395105

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CCCC[C@@H](NC(=O)[C@@H](CC1=CC=CCC1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5395105
Phase Preclinical
Structure Type MOL
InChI Key JZYYQXQGPIBHMA-ZGFBMJKBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

582.8
MW (Da)
0.62
ALogP
6
HBA
8
HBD
218.3
PSA (Ų)
0.07
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H46N8O4
MW 582.75
Aromatic Rings 1
Heavy Atoms 42
NP-Likeness 0.48

Literature References

PubMed DOI Target Context # Activities
36179400 10.1016/j.ejmech.2022.114785 Kappa-type opioid receptor 1

Data from ChEMBL 36 via Core Engine