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Compound Detail

CHEMBL2370252

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CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1cccnc1)C(=O)O)[C@@H](C)CC

Basic Information

ChEMBL ID CHEMBL2370252
Phase Preclinical
Structure Type BOTH
InChI Key RJRATOSPCIEAAM-UCARNMNASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

886.1
MW (Da)
3.08
ALogP
9
HBA
8
HBD
262.1
PSA (Ų)
0.06
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C47H63N7O10
MW 886.06
Aromatic Rings 3
Heavy Atoms 64

Literature References

PubMed DOI Target Context # Activities
7636842 10.1021/jm00015a003 Endothelin-1 receptor 1
7636842 10.1021/jm00015a003 Endothelin receptor type B 1

Data from ChEMBL 36 via Core Engine