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Compound Detail

CHEMBL128175

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

Basic Information

ChEMBL ID CHEMBL128175
Phase Preclinical
Structure Type MOL
InChI Key LKKVBBKSWJHIPS-CJQGIMJOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

734.9
MW (Da)
-1.73
ALogP
10
HBA
10
HBD
284.2
PSA (Ų)
0.06
QED
2
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H58N8O9
MW 734.90
Aromatic Rings 1
Heavy Atoms 52
NP-Likeness 0.02

Literature References

PubMed DOI Target Context # Activities
1331450 10.1021/jm00099a024 Substance-K receptor 1

Data from ChEMBL 36 via Core Engine