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Compound Detail

CHEMBL3417393

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CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3417393
Phase Preclinical
Structure Type BOTH
InChI Key UQWFKBAOMZECOP-LJADHVKFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

763.9
MW (Da)
1.61
ALogP
9
HBA
6
HBD
226.5
PSA (Ų)
0.10
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H57N7O8
MW 763.94
Aromatic Rings 2
Heavy Atoms 55
NP-Likeness -0.23

Literature References

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

Data from ChEMBL 36 via Core Engine