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Compound Detail

CHEMBL3417394

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CCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3417394
Phase Preclinical
Structure Type BOTH
InChI Key ZNBXYCDBDQNLPY-LJWNLINESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

578.7
MW (Da)
2.80
ALogP
6
HBA
4
HBD
137.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H42N4O6
MW 578.71
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
25668242 10.1021/jm501916k Apelin receptor 2

Data from ChEMBL 36 via Core Engine