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Compound Detail

CHEMBL2372353

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CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2372353
Phase Preclinical
Structure Type BOTH
InChI Key YRKBCUHTAGVZGT-UNFRKHOWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

654.8
MW (Da)
0.83
ALogP
7
HBA
6
HBD
188.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H46N6O6S
MW 654.83
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
2441057 10.1021/jm00391a046 Adenosine receptor 1
2441057 10.1021/jm00391a046 Substance-P receptor 1

Data from ChEMBL 36 via Core Engine