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Compound Detail

CHEMBL247562

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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cc[n+]([O-])cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247562
Phase Preclinical
Structure Type MOL
InChI Key CTLOGYCNMCOSJW-QGQQZZQASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

570.6
MW (Da)
-0.85
ALogP
7
HBA
6
HBD
206.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38N6O7
MW 570.65
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
17350835 10.1016/j.bmcl.2007.01.092 Mu-type opioid receptor 2
17350835 10.1016/j.bmcl.2007.01.092 Delta-type opioid receptor 2
17350835 10.1016/j.bmcl.2007.01.092 Kappa-type opioid receptor 1

Data from ChEMBL 36 via Core Engine